SCHEMBL4769329

SCHEMBL4769329

COc1ccc(-c2cc3cc(C)ccc3c(=O)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.59
ALDH1A1 P00352 9/20 0.59
HPGD P15428 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
PARP1 P09874 1/20 0.54
LMNA P02545 2/20 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
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GSK3B P49841 1/20 0.47
MAOB P27338 1/20 0.46
GAA P10253 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
SCHEMBL4773470 0.90 PARP1 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4769828 0.89 KDM4E (0.63) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4769021 0.82 TNKS (0.64) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1536353 0.81 KDM4E (0.64) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2432923 0.81 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL16625060 0.80 TNKS (0.48) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1536447 0.80 TNKS (0.49) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL28034156 0.80 PARP1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13729788 0.80 PARP1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13729118 0.80 PARP1 (0.48) 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 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 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.