SCHEMBL4771998

SCHEMBL4771998

COc1ccc(-c2cc3ccccc3c(=O)[nH]2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.57
APAF1 O14727 1/20 0.57
TDP2 O95551 1/20 0.57
CASP3 P42574 1/20 0.57
CASP7 P55210 1/20 0.57
CASP9 P55211 1/20 0.57
CASP6 P55212 1/20 0.57
CASP8 Q14790 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
PARP1 P09874 1/20 0.52
THRB P10828 1/20 0.49
TNKS O95271 2/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL4774288 0.89 CDC25B (0.60) CDC25BAPAF1TDP2CASP3CASP7
SCHEMBL4774175 0.87 THRB (0.52) CDC25BAPAF1TDP2CASP3CASP7
SCHEMBL4763653 0.86 KDM4E (0.63) CDC25BAPAF1TDP2CASP3CASP7
SCHEMBL4766918 0.81 TNKS (0.47) CDC25BAPAF1TDP2CASP3CASP7
SCHEMBL7049328 0.80 KDM4E (0.72) CASP3SENP8SENP7KDM4EMEN1
SCHEMBL4769021 0.80 TNKS (0.64) CDC25BAPAF1TDP2CASP3CASP7
SCHEMBL4773592 0.78 THRB (0.52) CDC25BAPAF1TDP2CASP3CASP7
SCHEMBL4771349 0.77 TNKS (0.54) CDC25BAPAF1TDP2CASP3CASP7
SCHEMBL23743251 0.76 GUSB (0.72) CASP3SENP7PARP1TNKSKDM4E
SCHEMBL4766308 0.75 GUSB (0.60) CDC25BAPAF1TDP2CASP3CASP7

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 CDC25B 258/4885APAF1 3367/4885TDP2 1379/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CDC25B 1388/4885APAF1 3549/4885TDP2 551/4885

“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.