SCHEMBL4771349

SCHEMBL4771349

COc1cc(OC)cc(-c2cc3ccccc3c(=O)[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 6/20 0.54
CASP3 P42574 4/20 0.54
SENP7 Q9BQF6 4/20 0.54
CDC25B P30305 2/20 0.53
KDM4E B2RXH2 5/20 0.50
PARP1 P09874 2/20 0.50
GAA P10253 1/20 0.50
SENP8 Q96LD8 2/20 0.49
APAF1 O14727 1/20 0.49
TDP2 O95551 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
SERPINE1 P05121 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL4769021 0.88 TNKS (0.64) TNKSCASP3SENP7CDC25BKDM4E
SCHEMBL4766308 0.79 GUSB (0.60) TNKSCASP3SENP7CDC25BKDM4E
SCHEMBL828493 0.79 TNKS (0.63) TNKSCASP3SENP7CDC25BKDM4E
SCHEMBL29639160 0.79 TNKS (0.63) TNKSCASP3SENP7CDC25BKDM4E
SCHEMBL1536353 0.78 KDM4E (0.64) TNKSCASP3SENP7KDM4EPARP1
SCHEMBL11661055 0.78 KDM4E (0.76) CASP3SENP7KDM4EGAASENP8
SCHEMBL30160687 0.78 TNKS (0.58) TNKSKDM4EGAAALDH1A1HPGD
SCHEMBL28924649 0.78 TNKS (0.58) TNKSKDM4EGAAALDH1A1HPGD
SCHEMBL4774288 0.77 CDC25B (0.60) TNKSCASP3SENP7CDC25BKDM4E
SCHEMBL4771998 0.77 CDC25B (0.57) TNKSCASP3SENP7CDC25BKDM4E

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 TNKS 2508/4885CASP3 1930/4885SENP7 1267/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TNKS 2461/4885CASP3 1203/4885SENP7 1962/4885

“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.