SCHEMBL1996990

SCHEMBL1996990

Cc1ccc(C(=O)N2CCSc3ccc(C(=O)NC(C)(C)C)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 2/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 2/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLA P06280 2/20 0.43
GFER P55789 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL2001916 0.91 RAB9A (0.47) MAPTSMN1; SMN2TP53KMT2ANPC1
SCHEMBL1996799 0.90 MAPT (0.51) MAPTSMN1; SMN2TP53KMT2ANPC1
SCHEMBL1995486 0.90 KDM4E (0.55) MAPTSMN1; SMN2TP53KMT2ANPC1
SCHEMBL2005128 0.88 RAB9A (0.57) MAPTSMN1; SMN2TP53KMT2ANPC1
SCHEMBL1995768 0.86 NOTUM (0.53) MAPTSMN1; SMN2TP53KMT2ANPC1
SCHEMBL2001847 0.84 MAPT (0.50) MAPTSMN1; SMN2TP53KMT2ANPC1
SCHEMBL1999119 0.83 MAPT (0.45) MAPTSMN1; SMN2TP53KMT2ANPC1
SCHEMBL1997340 0.83 MAPT (0.48) MAPTSMN1; SMN2TP53KMT2ANPC1
SCHEMBL1997619 0.81 MAPT (0.57) MAPTSMN1; SMN2TP53KMT2ARXFP1
SCHEMBL2003675 0.81 ALDH1A1 (0.56) MAPTSMN1; SMN2TP53KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 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 (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-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 MAPT 1743/4885SMN1; SMN2 3964/4885TP53 3987/4885

“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.