SCHEMBL4764674

SCHEMBL4764674

COc1ccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
TNKS O95271 4/20 0.50
PARP1 P09874 2/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 2/20 0.50
MAOB P27338 1/20 0.50
PIK3CA P42336 1/20 0.48
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GSK3B P49841 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL13729788 0.88 PARP1 (0.48) KDM4ETNKSPARP1MAPTGLA
SCHEMBL4773470 0.88 PARP1 (0.58) KDM4ETNKSPARP1MAPTGLA
SCHEMBL1536571 0.83 CLK1 (0.48) KDM4EPARP1MAPTALDH1A1NPC1
SCHEMBL1536353 0.82 KDM4E (0.64) KDM4ETNKSPARP1MAPTTNKS2
SCHEMBL15058477 0.81 KDM4E (0.67) KDM4EMAPTMAOBPIK3CAALDH1A1
SCHEMBL27077386 0.81 PARP1 (0.46) KDM4ETNKSPARP1TNKS2PARP2
SCHEMBL29893090 0.81 PARP1 (0.46) KDM4ETNKSPARP1TNKS2PARP2
SCHEMBL1536447 0.81 TNKS (0.49) KDM4ETNKSPARP1MAPTGLA
SCHEMBL28034156 0.81 PARP1 (0.48) KDM4ETNKSPARP1MAPTALDH1A1
SCHEMBL13729118 0.81 PARP1 (0.48) KDM4ETNKSPARP1MAPTTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 KDM4E 1050/4885TNKS 2508/4885PARP1 1660/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885TNKS 2461/4885PARP1 1099/4885

“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.