SCHEMBL4120608

SCHEMBL4120608

COc1ccc(C2(C(=O)Nc3ccc(C(=O)c4ccccc4OC)cn3)CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.48
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CFTR P13569 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ QPCT Q16769 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL13653689 0.90 KMT2A (0.44) HDAC1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL11885453 0.90 HDAC1 (0.49) HDAC1KMT2AMEN1L3MBTL1CFTR
SCHEMBL11885454 0.90 HDAC1 (0.56) HDAC1KMT2AMEN1L3MBTL1CFTR
SCHEMBL4122547 0.89 KMT2A (0.56) HDAC1KMT2AMEN1L3MBTL1CFTR
SCHEMBL11885458 0.88 ELOVL1 (0.49) HDAC1KMT2AMEN1L3MBTL1CFTR
SCHEMBL4120494 0.88 LMNA (0.52) HDAC1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL1071240 0.87 CFTR (0.62) CFTRMAPTNPC1RAB9ATP53
SCHEMBL4109791 0.86 HDAC1 (0.46) HDAC1KMT2AMEN1L3MBTL1CFTR
SCHEMBL4122625 0.85 KMT2A (0.48) HDAC1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL4123373 0.85 CFTR (0.51) CFTR

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 22 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-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
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
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 — — US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 — — US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 — — US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 — — US 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 HDAC1 3182/4885KMT2A 4636/4885MEN1 4857/4885
US-20130317020-A1 Pyridyl Derivatives as CFTR Modulators CFTR, ABCC4, ABCB1 HDAC1 3182/4885KMT2A 4636/4885MEN1 4857/4885
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 HDAC1 3182/4885KMT2A 4636/4885MEN1 4857/4885

“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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