SCHEMBL4129333

SCHEMBL4129333

COc1ccccc1Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ CACNA1G O43497 1/20 0.46
▸ CACNA1H O95180 1/20 0.46
▸ CACNA1I Q9P0X4 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ FPR1 P21462 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 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
SCHEMBL4109935 0.92 L3MBTL1 (0.52) MEN1KMT2ALMNAALDH1A1CACNA1G
SCHEMBL4124081 0.91 CACNA1G (0.54) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4122330 0.91 KMT2A (0.46) MEN1KMT2ALMNAALDH1A1CACNA1G
SCHEMBL4116848 0.88 KMT2A (0.48) MEN1KMT2ALMNAALDH1A1CACNA1G
SCHEMBL4117091 0.86 CSNK1D (0.47) MEN1KMT2AALDH1A1CACNA1GCACNA1H
SCHEMBL4116873 0.85 KMT2A (0.42) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL4116625 0.84 ELOVL1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2CACNA1G
SCHEMBL4110014 0.84 CFTR (0.52) ALDH1A1NPC1RAB9A
SCHEMBL13653572 0.84 HDAC4 (0.46) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL4120494 0.82 LMNA (0.52) MEN1KMT2ALMNAALDH1A1SMN1; SMN2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980077-B1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2020-05-06 — — EP disclosed
EP-2980077-B1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2020-05-06 — — EP disclosed
EP-2980077-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2016-02-03 — — EP disclosed
EP-2980077-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2016-02-03 — — EP disclosed
EP-2615085-B1 Pyridyl derivatives as CFTR modulators VERTEX PHARMA (US) 2015-08-26 — — EP disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 — — US disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 — — US disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 — — US disclosed
US-20130317020-A1 Pyridyl Derivatives as CFTR Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-28 — — US disclosed
EP-2271621-B1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2013-11-20 — — EP disclosed
US-8524910-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524910-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
EP-2615085-A1 Pyridyl derivatives as CFTR modulators Vertex Pharmaceuticals Incorporated (US) 2013-07-17 — — EP disclosed
EP-2615085-A1 Pyridyl derivatives as CFTR modulators Vertex Pharmaceuticals Incorporated (US) 2013-07-17 — — EP disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 — — US disclosed
WO-2009123896-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-08 — — WO disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 — — 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 (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-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 MEN1 4857/4885KMT2A 4636/4885LMNA 3262/4885
US-20130317020-A1 Pyridyl Derivatives as CFTR Modulators CFTR, ABCC4, ABCB1 MEN1 4857/4885KMT2A 4636/4885LMNA 3262/4885
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 MEN1 4857/4885KMT2A 4636/4885LMNA 3262/4885

“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.

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