SCHEMBL926599

SCHEMBL926599

CCOC(=O)c1cc2cc(C(F)(F)F)cnc2n1Cc1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
NR3C1 P04150 2/20 0.40
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL17997439 0.86 USP2 (0.41) POLBNR3C1USP2CYP3A4CYP2D6
SCHEMBL1050216 0.84 TSHR (0.44) POLBMAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL2545450 0.83 NOD2 (0.44) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL833013 0.82 NOD2 (0.50) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24640542 0.80 POLB (0.47) POLBMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL31491281 0.79 POLB (0.46) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30104790 0.79 POLB (0.44) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1093477 0.78 MAPT (0.46) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL832224 0.77 NOD2 (0.41) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3618212 0.74 MAPT (0.47) POLBMAPTSMN1; SMN2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354425-B2 Azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-15 US disclosed
US-20110009364-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 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 (1 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-20110009364-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF ZYX, XDH, ZFX POLB 1412/4885NR3C1 359/4885MAPT 4423/4885

“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.