SCHEMBL434663

SCHEMBL434663

CCn1c(=O)c(C)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MAPK8 P45983 1/20 0.45
RCE1 Q9Y256 1/20 0.45
GABRA5 P31644 1/20 0.45
PGR P06401 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
BRPF1 P55201 1/20 0.44

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
SCHEMBL30783420 0.84 HPGD (0.60) KDM4EALDH1A1HPGDLMNAMAPK1
SCHEMBL29200758 0.84 HPGD (0.60) KDM4EALDH1A1HPGDLMNAMAPK1
SCHEMBL15241820 0.84 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL11824046 0.82 DAO (0.62) KDM4EALDH1A1HPGDLMNAMAPK1
SCHEMBL26620879 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDLMNAMAPK1
SCHEMBL28325706 0.82 LMNA (0.48) KDM4EALDH1A1HPGDLMNAMAPK1
SCHEMBL30355091 0.82 BTK (0.48) KDM4EALDH1A1HPGDLMNAMAPK1
SCHEMBL2799318 0.81 HPGD (0.44) KDM4EALDH1A1HPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4552525 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDLMNAMAPK1
SCHEMBL31202584 0.80 CNR2 (0.52) KDM4EALDH1A1HPGDLMNAMAPK1

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
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
WO-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO 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 (1 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH KDM4E 3857/4885ALDH1A1 461/4885HPGD 224/4885

“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.