SCHEMBL406534

SCHEMBL406534

NC(=O)c1ccccc1N1C(=O)C2C3CCC(CC3)C2C1=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
GAA P10253 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.41
METAP2 P50579 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL402314 0.85 SMN1; SMN2 (0.58) L3MBTL1GAASMN1; SMN2KMT2AMEN1
SCHEMBL30782812 0.80 KMT2A (0.54) L3MBTL1GAASMN1; SMN2KMT2AMEN1
SCHEMBL3211065 0.75 NPC1 (0.54) L3MBTL1GAASMN1; SMN2KMT2AALDH1A1
SCHEMBL10938557 0.73 ALDH1A1 (0.64) ALDH1A1NPC1MAPTMETAP2
SCHEMBL11817098 0.71 APEX1 (0.53) SMN1; SMN2ALDH1A1NPC1CYP3A4POLB
SCHEMBL30423190 0.71 APEX1 (0.53) SMN1; SMN2ALDH1A1NPC1CYP3A4POLB
SCHEMBL3187786 0.71 L3MBTL1 (0.44) L3MBTL1GAASMN1; SMN2KMT2AMEN1
SCHEMBL12490893 0.70 NPC1 (0.56) L3MBTL1KMT2AMEN1NPC1POLB
SCHEMBL3084334 0.68 NPC1 (0.68) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3191046 0.68 L3MBTL1 (0.61) L3MBTL1GAASMN1; SMN2KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045418-B2 Compounds, compositions and methods for treatment and prevention of Orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2015-06-02 US disclosed
US-20140316145-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC., (US) 2014-10-23 US disclosed
US-8802714-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2014-08-12 US disclosed
US-20130345278-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2013-12-26 US disclosed
US-8530509-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2013-09-10 US disclosed
US-8124643-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2012-02-28 US disclosed
US-20120020922-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES INC. (US) 2012-01-26 US disclosed
US-8039504-B2 heating a mixture of anti-tricyclo[3.2.2.0]non-6-ene-endo-8, endo-9-dicarboxylic acid anhydride, 4-(trifluoromethyl)benzhydrazide, and ethanol at reflux, concetrating and recrystallizing; 4-Trifluoromethyl-N- (3,3a,4,4a,5,5a,6,6a,- octahydro-1,3-dioxo-4,6- ethenocycloprop[f]isoindol- 2(1H)-yl)-benzamide SIGA TECHNOLOGIES, INC. (US) 2011-10-18 US disclosed
US-7956197-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2011-06-07 US disclosed
US-20110009456-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases SIGA TECHNOLOGIES INC. (US) 2011-01-13 US disclosed
US-20100227892-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases SIGA TECHNOLOGIES INC. (US) 2010-09-09 US disclosed
US-7737168-B2 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2010-06-15 US disclosed
EP-2192901-A2 CHEMICALS, COMPOSITIONS, AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2010-06-09 EP disclosed
US-7687641-B2 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2010-03-30 US disclosed
WO-2008079159-A2 CHEMICALS, COMPOSITIONS, AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2008-07-03 WO disclosed
US-20080103181-A9 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2008-05-01 US disclosed
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2008-01-03 US disclosed
US-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2007-12-13 US disclosed
US-20060235051-A1 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2006-10-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT L3MBTL1 1899/4885GAA 239/4885SMN1; SMN2 3328/4885
US-20060235051-A1 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT L3MBTL1 1630/4885GAA 141/4885SMN1; SMN2 2395/4885
US-20100227892-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases OTC, FAHD1, VAC14 L3MBTL1 2051/4885GAA 127/4885SMN1; SMN2 2623/4885
US-20080103181-A9 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT L3MBTL1 1630/4885GAA 141/4885SMN1; SMN2 2395/4885
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT L3MBTL1 1899/4885GAA 239/4885SMN1; SMN2 3328/4885
US-20110009456-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases OTC, FAHD1, VAC14 L3MBTL1 2051/4885GAA 127/4885SMN1; SMN2 2623/4885
US-20140316145-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 L3MBTL1 2051/4885GAA 127/4885SMN1; SMN2 2623/4885
US-20120020922-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 L3MBTL1 2051/4885GAA 127/4885SMN1; SMN2 2623/4885
US-20130345278-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 L3MBTL1 2051/4885GAA 127/4885SMN1; SMN2 2623/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.