SCHEMBL15345335

SCHEMBL15345335

NCc1c(C(N)=O)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
GAA P10253 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
HTR2A P28223 1/20 0.50
WDR5 P61964 1/20 0.46
PLG P00747 2/20 0.46
KLK1 P06870 2/20 0.46
KLK6 Q92876 2/20 0.46
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
LDHA P00338 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL29625744 0.87 HSD17B10 (0.53) KDM4EGAAALDH1A1MAPTTAAR1
SCHEMBL23515370 0.87 HSD17B10 (0.53) KDM4EGAAALDH1A1MAPTTAAR1
SCHEMBL11594011 0.84 NCEH1 (0.50) KDM4EGAAALDH1A1MAPTTAAR1
SCHEMBL17592082 0.81 NCEH1 (0.52) KDM4EGAAALDH1A1MAPTTAAR1
SCHEMBL5028929 0.80 WDR5 (0.41) KDM4EGAAALDH1A1MAPTTAAR1
SCHEMBL29009407 0.79 NCEH1 (0.54) KDM4EGAAALDH1A1MAPTWDR5
Ammonia Solution, Strong SCHEMBL7765352 0.79 WDR5 (0.40) KDM4EGAAALDH1A1MAPTTAAR1
SCHEMBL3939222 0.79 WDR5 (0.40) KDM4EGAAALDH1A1MAPTTAAR1
SCHEMBL9794886 0.78 NCEH1 (0.50) KDM4EGAAALDH1A1MAPTHSD17B10
SCHEMBL11776927 0.78 CNR2 (0.44) KDM4EGAAALDH1A1MAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 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 (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-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 KDM4E 1985/4885GAA 4030/4885ALDH1A1 250/4885

“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.