SCHEMBL406052

SCHEMBL406052

O=C(NN1C(=O)C2C3C=CC(C4CC34)C2C1=O)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
SMN1; SMN2 Q16637 2/20 0.73
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
PKM P14618 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL10029256 1.00 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL18724329 1.00 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL404321 0.86 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL10029225 0.86 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL18724481 0.86 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL10029236 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL18724092 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL404251 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10029257 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL18691802 0.84 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638938-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECH INC (US) 2017-04-12 EP claimed
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 claimed
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 claimed
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 claimed
EP-2205602-A1 IMIDAZOÝL,2- ¨QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS Université de Montpellier I (FR) 2010-07-14 EP claimed
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 claimed
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 claimed
EP-2148860-A1 CHEMICALS, COMPOSITIONS, AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2010-02-03 EP claimed
WO-2009043934-A1 IMIDAZO[L,2-α]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIVERSITE DE MONTPELLIER I (FR) 2009-04-09 WO claimed
WO-2008130348-A1 CHEMICALS, COMPOSITIONS, AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2008-10-30 WO claimed
EP-1638938-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES INC (US) 2008-09-17 EP claimed
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 claimed
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 claimed
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 claimed
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 claimed
EP-1638938-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES Siga Technologies, Inc. (US) 2006-03-29 EP claimed
WO-2004112718-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2004-12-29 WO claimed
EP-1638938-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECH INC (US) 2017-04-12 EP disclosed
EP-1638938-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES Siga Technologies, Inc. (US) 2006-03-29 EP disclosed
WO-2004112718-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2004-12-29 WO 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 (4 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 ALDH1A1 1119/4885SMN1; SMN2 3328/4885MEN1 4500/4885
US-20060235051-A1 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1899/4885SMN1; SMN2 2395/4885MEN1 4313/4885
US-20080103181-A9 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1899/4885SMN1; SMN2 2395/4885MEN1 4313/4885
US-20110009456-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases OTC, FAHD1, VAC14 ALDH1A1 2022/4885SMN1; SMN2 2623/4885MEN1 4542/4885

“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.