SCHEMBL1140464

SCHEMBL1140464

COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCCCC4)nc3)ccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56
FASN P49327 1/20 0.53
CSF1R P07333 1/20 0.52
DAPK1 P53355 1/20 0.52
RAB9A P51151 3/20 0.51
ABL1 P00519 3/20 0.51
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
NR4A1 P22736 1/20 0.50
MCL1 Q07820 1/20 0.50
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
THRB P10828 1/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1140823 0.91 MAPT (0.58) KCNQ3KCNQ2FASNCSF1RDAPK1
SCHEMBL1140406 0.91 MAPT (0.62) KCNQ3KCNQ2CSF1RDAPK1RAB9A
SCHEMBL1140370 0.90 FASN (0.60) KCNQ3KCNQ2FASNCSF1RDAPK1
SCHEMBL16986681 0.87 CSF1R (0.46) KCNQ3KCNQ2FASNCSF1RDAPK1
SCHEMBL1140704 0.87 KCNQ3 (0.56) KCNQ3KCNQ2RAB9AMAPTLMNA
SCHEMBL1140434 0.85 MAPT (0.47) KCNQ3KCNQ2FASNCSF1RDAPK1
SCHEMBL6340639 0.85 MAPT (0.47) KCNQ3KCNQ2FASNCSF1RDAPK1
SCHEMBL1140677 0.82 KCNQ3 (0.57) KCNQ3KCNQ2FASNRAB9AMAPT
SCHEMBL1140401 0.82 KCNQ3 (0.52) KCNQ3KCNQ2FASNRAB9AMAPT
SCHEMBL1140636 0.81 MAPT (0.59) KCNQ3KCNQ2FASNCSF1RDAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-A1 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2011-09-07 EP claimed
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
EP-2363393-A1 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2011-09-07 EP disclosed
US-20110183962-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2011-07-28 US disclosed
EP-2346499-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2011-07-27 EP disclosed
WO-2011062939-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES NOVARTIS AG (CH) 2011-05-26 WO disclosed
US-20110039850-A1 Leukemia Treatment THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2011-02-17 US disclosed
WO-2011019798-A1 METHODS AND COMPOSITIONS FOR TREATING LEUKEMIA NOVARTIS AG (CH) 2011-02-17 WO 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 (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-20110183962-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO KCNQ3 2396/4885KCNQ2 2508/4885FASN 628/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 KCNQ3 3080/4885KCNQ2 2963/4885FASN 3081/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO KCNQ3 4000/4885KCNQ2 3814/4885FASN 2368/4885
US-20110039850-A1 Leukemia Treatment ABL1, MCL1, BCR KCNQ3 4560/4885KCNQ2 4455/4885FASN 4435/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO KCNQ3 4000/4885KCNQ2 3814/4885FASN 2368/4885

“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.