SCHEMBL4769828

SCHEMBL4769828

COc1ccc(-c2cc3ccc(C)cc3c(=O)[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.63
ALDH1A1 P00352 9/20 0.63
HPGD P15428 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
PARP1 P09874 1/20 0.54
LMNA P02545 3/20 0.52
TNKS O95271 2/20 0.52
TNKS2 Q9H2K2 1/20 0.52
MAPT P10636 4/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GSK3B P49841 1/20 0.47
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46
GAA P10253 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL2432923 0.90 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4769329 0.89 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL14867343 0.88 HPGD (0.57) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4769021 0.82 TNKS (0.64) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL14867282 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL14867268 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL28629567 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL30160749 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL12324336 0.82 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2428824 0.82 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2NPC1

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 1050/4885ALDH1A1 2989/4885HPGD 1216/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885ALDH1A1 1071/4885HPGD 1548/4885

“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.