SCHEMBL4109935

SCHEMBL4109935

COc1ccccc1Cc1ccc(NC(=O)C2(c3ccccc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HDAC1 Q13547 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CACNA1G O43497 1/20 0.47
▸ CACNA1H O95180 1/20 0.47
▸ CACNA1I Q9P0X4 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ ELOVL1 Q9BW60 1/20 0.44
▸ ITGA4 P13612 2/20 0.42
▸ ITGB7 P26010 2/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 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
SCHEMBL4122330 0.93 KMT2A (0.46) L3MBTL1HDAC1ALDH1A1HTTCACNA1G
SCHEMBL4124081 0.93 CACNA1G (0.54) L3MBTL1HDAC1ALDH1A1CACNA1GCACNA1H
SCHEMBL4129333 0.92 MEN1 (0.48) L3MBTL1ALDH1A1HTTCACNA1GCACNA1H
SCHEMBL4116625 0.90 ELOVL1 (0.49) L3MBTL1ALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL4116848 0.90 KMT2A (0.48) L3MBTL1HDAC1ALDH1A1CACNA1GCACNA1H
SCHEMBL4116873 0.89 KMT2A (0.42) L3MBTL1HDAC1ALDH1A1LMNAPKM
SCHEMBL4117091 0.88 CSNK1D (0.47) L3MBTL1HDAC1ALDH1A1CACNA1GCACNA1H
SCHEMBL13653572 0.87 HDAC4 (0.46) L3MBTL1ALDH1A1LMNAMAPTNPSR1
SCHEMBL4110014 0.85 CFTR (0.52) ALDH1A1NPC1RAB9A
SCHEMBL15108965 0.85 MAPT (0.42) L3MBTL1ALDH1A1ELOVL1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 L3MBTL1 4010/4885HDAC1 3182/4885ALDH1A1 2452/4885

“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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