SCHEMBL15345512

SCHEMBL15345512

NCc1cccc2cc(C(N)=O)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.49
PARP1 P09874 5/20 0.46
PLAU P00749 1/20 0.46
PTPN1 P18031 1/20 0.44
LCK P06239 1/20 0.43
SLC9A1 P19634 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR2C P28335 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
HTR1B P28222 1/20 0.40
HTR7 P34969 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL15345401 0.87 PARP10 (0.49) PARP10PARP1PLAUPTPN1LCK
SCHEMBL4847261 0.81 NCEH1 (0.45) PTPN1ALDH1A1MAPTHPGD
SCHEMBL15345358 0.81 KDM2B (0.48) PARP10PARP1MEN1KMT2AALDH1A1
SCHEMBL8879172 0.78 PTPN1 (0.53) PARP10PARP1PLAUPTPN1LCK
SCHEMBL13045132 0.77 PARP1 (0.50) PARP10PARP1PLAUPTPN1LCK
SCHEMBL30737381 0.77 PLAU (0.56) PARP1PLAUPTPN1LCKSLC9A1
SCHEMBL6384957 0.77 ALDH1A1 (0.62) PARP10PARP1PLAUPTPN1LCK
SCHEMBL29463701 0.77 ALDH1A1 (0.62) PARP10PARP1PLAUPTPN1LCK
SCHEMBL13333371 0.76 PARP1 (0.52) PARP10PARP1PLAUPTPN1LCK
SCHEMBL14491163 0.76 CYP1A2 (0.53) PARP10PARP1PLAUPTPN1LCK

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 PARP10 566/4885PARP1 1395/4885PLAU 4860/4885

“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.