SCHEMBL833013

SCHEMBL833013

CCOC(=O)c1cc2cc(C(F)(F)F)cnc2n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
ALDH1A1 P00352 5/20 0.48
TSHR P16473 4/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F10 P00742 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MDM2 Q00987 1/20 0.42

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
SCHEMBL2545450 0.91 NOD2 (0.44) NOD2NOD1ALDH1A1TSHRPOLB
SCHEMBL1093477 0.90 MAPT (0.46) NOD2NOD1ALDH1A1TSHRPOLB
SCHEMBL831340 0.86 NOD2 (0.53) NOD2NOD1ALDH1A1TSHRPOLB
SCHEMBL3114790 0.86 CCR2 (0.51) ALDH1A1HPGD
SCHEMBL832224 0.84 NOD2 (0.41) NOD2NOD1ALDH1A1TSHRPOLB
SCHEMBL24640542 0.82 POLB (0.47) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL926599 0.82 POLB (0.41) ALDH1A1TSHRPOLBMAPTTDP1
Hydrochloric Acid SCHEMBL31491281 0.81 POLB (0.46) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL30104790 0.81 POLB (0.44) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL833455 0.80 NOD2 (0.59) NOD2NOD1ALDH1A1TSHRPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 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 (2 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 NOD2 1126/4885NOD1 396/4885ALDH1A1 453/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS NOD2 978/4885NOD1 313/4885ALDH1A1 484/4885

“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.