SCHEMBL4773470

SCHEMBL4773470

COc1ccc(-c2cc3cc(OC)ccc3c(=O)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.58
KDM4E B2RXH2 11/20 0.56
ALDH1A1 P00352 8/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
HPGD P15428 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 5/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
GSK3B P49841 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL1536353 0.91 KDM4E (0.64) PARP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL4769329 0.90 KDM4E (0.59) PARP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL13729118 0.89 PARP1 (0.48) PARP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL28034156 0.89 PARP1 (0.48) PARP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL13729788 0.89 PARP1 (0.48) PARP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL1536447 0.89 TNKS (0.49) PARP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL1536571 0.88 CLK1 (0.48) PARP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL4764674 0.88 KDM4E (0.50) PARP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL2432923 0.88 KDM4E (0.60) PARP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL4769021 0.86 TNKS (0.64) PARP1KDM4EALDH1A1NPC1RAB9A

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 PARP1 1660/4885KDM4E 1050/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PARP1 1099/4885KDM4E 1058/4885ALDH1A1 1071/4885

“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.