SCHEMBL4773592

SCHEMBL4773592

COc1cccc(-c2cc3ccccc3c(=O)[nH]2)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
PARP1 P09874 1/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TNKS O95271 4/20 0.47
TNKS2 Q9H2K2 2/20 0.47
GUSB P08236 1/20 0.46
APAF1 O14727 1/20 0.45
TDP2 O95551 1/20 0.45
CDC25B P30305 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45

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
SCHEMBL4763653 0.89 KDM4E (0.63) THRBKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL4774175 0.82 THRB (0.52) THRBKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL4771998 0.78 CDC25B (0.57) THRBPARP1KDM4EALDH1A1RAB9A
SCHEMBL4774288 0.78 CDC25B (0.60) THRBPARP1KDM4EALDH1A1RAB9A
SCHEMBL509972 0.78 KDM4E (0.57) THRBKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL13316854 0.75 KDM4E (0.59) THRBPARP1KDM4EALDH1A1RAB9A
SCHEMBL4766308 0.75 GUSB (0.60) THRBPARP1KDM4EALDH1A1MAPT
SCHEMBL27031075 0.72 KDM4E (0.51) THRBKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL29817803 0.72 KDM4E (0.51) THRBKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL13455283 0.72 LOXL2 (0.51) THRBPARP1KDM4EALDH1A1RAB9A

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 THRB 2418/4885PARP1 1660/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 THRB 1793/4885PARP1 1099/4885KDM4E 1058/4885

“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.