SCHEMBL4769876

SCHEMBL4769876

COc1ccc(-c2cc3cccc(C)c3c(=O)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
PARP1 P09874 2/20 0.53
MAP2K1 Q02750 1/20 0.50
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
RIPK1 Q13546 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
TNKS O95271 5/20 0.49
TNKS2 Q9H2K2 2/20 0.49
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 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
SCHEMBL4765734 0.86 CYP1A1 (0.57) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL4766919 0.82 PARP1 (0.73) KDM4EPARP1MAP2K1TNKSTNKS2
SCHEMBL11653533 0.80 KDM4E (0.60) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL4769021 0.78 TNKS (0.64) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL15567448 0.74 PARP1 (0.49) KDM4ENPC1RAB9AMAPTPARP1
SCHEMBL4765770 0.74 RIPK1 (0.67) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL4773470 0.74 PARP1 (0.58) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL2432923 0.74 KDM4E (0.60) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL4769329 0.73 KDM4E (0.59) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL4769828 0.73 KDM4E (0.63) KDM4ENPC1RAB9AMAPTCASP3

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 8 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
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 1050/4885NPC1 4578/4885RAB9A 2421/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885NPC1 4576/4885RAB9A 2304/4885

“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.