SCHEMBL6340639

SCHEMBL6340639

COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCO[C@H](C)C4)nc3)ccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
FASN P49327 1/20 0.46
ABL1 P00519 2/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMO Q99835 3/20 0.45
PGR P06401 1/20 0.45
GPR183 P32249 1/20 0.45
KCNH2 Q12809 2/20 0.44
MCHR1 Q99705 1/20 0.44
RAB9A P51151 3/20 0.43
CSF1R P07333 1/20 0.42
DAPK1 P53355 1/20 0.42
DGAT1 O75907 1/20 0.42
MAPK14 Q16539 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
SCHEMBL1140434 1.00 MAPT (0.47) MAPTSMN1; SMN2LMNAHTTFASN
SCHEMBL1140675 0.91 MAPK14 (0.53) MAPTSMN1; SMN2LMNAHTTFASN
SCHEMBL6341234 0.91 MAPK14 (0.53) MAPTSMN1; SMN2LMNAHTTFASN
SCHEMBL1140511 0.91 SMO (0.57) ABL1SMOPGRGPR183
SCHEMBL1140514 0.91 SMO (0.57) ABL1SMOPGRGPR183
SCHEMBL16986706 0.89 SMO (0.41) MAPTSMN1; SMN2LMNAHTTFASN
SCHEMBL1140406 0.88 MAPT (0.62) MAPTSMN1; SMN2LMNAHTTABL1
SCHEMBL1140823 0.85 MAPT (0.58) MAPTSMN1; SMN2LMNAHTTFASN
SCHEMBL1140464 0.85 KCNQ3 (0.56) MAPTSMN1; SMN2LMNAHTTFASN
SCHEMBL11964542 0.81 SMO (0.67) MAPTFASNCYP1A2CYP2C19SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507471-B2 Biphenylcarboxamide derivatives as hedgehod pathway modulators IRM LLC (BM) 2013-08-13 US disclosed
US-8507471-B2 Biphenylcarboxamide derivatives as hedgehod pathway modulators IRM LLC (BM) 2013-08-13 US disclosed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US disclosed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US disclosed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 US disclosed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 US disclosed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US disclosed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US disclosed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO disclosed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 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 (3 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-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 MAPT 4534/4885SMN1; SMN2 3424/4885LMNA 4269/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4520/4885SMN1; SMN2 3605/4885LMNA 4488/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4520/4885SMN1; SMN2 3605/4885LMNA 4488/4885

“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.