SCHEMBL15345385

SCHEMBL15345385

N#Cc1c(CN)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39

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
Hydrochloric Acid SCHEMBL20563530 0.84 ANPEP (0.45) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL4594281 0.81 ANPEP (0.48) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL30439535 0.81 ANPEP (0.48) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL11214374 0.79 ANPEP (0.46) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL27814389 0.79 ANPEP (0.46) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL7847756 0.77 LOXL2 (0.42) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL6910507 0.76 ANPEP (0.44) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL11355072 0.75 ANPEP (0.43) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL2419451 0.75 ALDH1A1 (0.46) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL15263192 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTTAAR1

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 ANPEP 2821/4885CYP1A2 98/4885CYP2C19 402/4885

“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.