SCHEMBL4772827

SCHEMBL4772827

O=c1[nH]c(-c2ccccn2)cc2ccccc12

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.97
NPC1 O15118 5/20 0.97
RAB9A P51151 5/20 0.97
KDM4E B2RXH2 4/20 0.97
SMN1; SMN2 Q16637 4/20 0.97
LMNA P02545 3/20 0.97
HPGD P15428 3/20 0.97
GAA P10253 2/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HIF1A Q16665 1/20 0.55
APAF1 O14727 2/20 0.55
CDC25B P30305 2/20 0.55
TDP2 O95551 1/20 0.55
CASP6 P55212 1/20 0.55
RCE1 Q9Y256 1/20 0.55
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
GSK3B P49841 1/20 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
SCHEMBL31718101 1.00 ALDH1A1 (0.97) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1536486 0.81 RAB9A (0.65) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4768926 0.79 KDM4E (0.63) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28460190 0.77 KDM4E (0.61) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL11364351 0.77 KDM4E (0.65) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL30595154 0.76 KDM4E (0.60) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL308319 0.76 GSK3B (0.61) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29470995 0.76 GSK3B (0.61) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1988750 0.75 KDM4E (0.58) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL22201443 0.75 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US 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 (3 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 ALDH1A1 1976/4885NPC1 1843/4885RAB9A 3234/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 ALDH1A1 2989/4885NPC1 4578/4885RAB9A 2421/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885NPC1 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.