SCHEMBL4768952

SCHEMBL4768952

Clc1nc(-c2ccc3c(c2)OCO3)cc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
ADORA2A P29274 2/20 0.55
ADORA1 P30542 2/20 0.55
ADORA3 P0DMS8 1/20 0.55
TP53 P04637 3/20 0.54
DHODH Q02127 1/20 0.54
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.50
HSD17B10 Q99714 3/20 0.49

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
SCHEMBL4773152 0.91 SMN1; SMN2 (0.48) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL509599 0.83 ADORA1 (0.62) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL5999873 0.79 TP53 (0.67) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL31134142 0.79 TP53 (0.67) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL27782976 0.75 NPC1 (0.60) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL786133 0.74 MEN1 (0.55) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL31388225 0.74 MEN1 (0.55) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3827537 0.73 ADORA1 (0.52) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL4769149 0.72 ALDH1A1 (0.53) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL29496949 0.72 RAB9A (0.68) KDM4EMAPTALDH1A1NPC1RAB9A

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 1050/4885MAPT 1892/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885MAPT 3756/4885ALDH1A1 1071/4885

“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.