SCHEMBL10029265

SCHEMBL10029265

O=C(Cc1ccc(C(F)(F)F)cc1)NN1C(=O)[C@@H]2C3C=CC(C4CC43)[C@@H]2C1=O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
TRIP13 Q15645 1/20 0.40
HTT P42858 1/20 0.39
NLRP3 Q96P20 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL18724312 1.00 SMN1; SMN2 (0.52) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL10029270 0.84 SMN1; SMN2 (0.55) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL10029253 0.84 SMN1; SMN2 (0.72) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL407077 0.84 SMN1; SMN2 (0.72) SMN1; SMN2GAAALDH1A1MEN1KMT2A
Tecovirimat SCHEMBL20126651 0.83 ALDH1A1 (0.73) SMN1; SMN2GAAALDH1A1MEN1KMT2A
Tecovirimat SCHEMBL21549158 0.83 ALDH1A1 (0.73) SMN1; SMN2GAAALDH1A1MEN1KMT2A
Tecovirimat SCHEMBL404743 0.83 ALDH1A1 (0.73) SMN1; SMN2GAAALDH1A1MEN1KMT2A
Tecovirimat SCHEMBL10029251 0.83 ALDH1A1 (0.73) SMN1; SMN2GAAALDH1A1MEN1KMT2A
Tecovirimat SCHEMBL406595 0.83 ALDH1A1 (0.73) SMN1; SMN2GAAALDH1A1MEN1KMT2A
Tecovirimat SCHEMBL10034023 0.83 ALDH1A1 (0.73) SMN1; SMN2GAAALDH1A1MEN1KMT2A

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 26 patents — showing the first 20. 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-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-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-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-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-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
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
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
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
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-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-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-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

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

For each of this compound's patents that has machine-readable text (5 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 SMN1; SMN2 3328/4885GAA 239/4885ALDH1A1 1119/4885
US-20080103181-A9 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT SMN1; SMN2 2395/4885GAA 141/4885ALDH1A1 1899/4885
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT SMN1; SMN2 3328/4885GAA 239/4885ALDH1A1 1119/4885
US-20140316145-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 SMN1; SMN2 2623/4885GAA 127/4885ALDH1A1 2022/4885
US-20120020922-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 SMN1; SMN2 2623/4885GAA 127/4885ALDH1A1 2022/4885

“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.