SCHEMBL15345401

SCHEMBL15345401

NCc1cccc2ccc(C(N)=O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.49
PARP1 P09874 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NQO2 P16083 1/20 0.46
PLAU P00749 3/20 0.46
PTPN1 P18031 1/20 0.45
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
KLK1 P06870 1/20 0.44
PRSS1 P07477 1/20 0.44
MTNR1A P48039 3/20 0.43
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR2C P28335 2/20 0.43
LCK P06239 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
HTR1B P28222 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
SCHEMBL15345512 0.87 PARP10 (0.49) PARP10PARP1MEN1KMT2APLAU
SCHEMBL2053043 0.87 PLA2G2D (0.51) MEN1KMT2ANQO2PLAUPTPN1
SCHEMBL7349442 0.81 NQO2 (0.58) NQO2PLAUMTNR1AHTR2CLCK
SCHEMBL28124449 0.77 KDM4E (0.62) PARP10PARP1PLAUPTPN1F2
SCHEMBL7064761 0.77 PLAU (0.71) PARP10PARP1MEN1KMT2APLAU
SCHEMBL1004717 0.77 ALDH1A1 (0.55) PARP10PARP1PLAUPTPN1F2
SCHEMBL12676044 0.75 MTNR1A (0.53) NQO2MTNR1ACYP1A2HTR5A
SCHEMBL30811869 0.74 ALDH1A1 (0.56) PARP10PARP1PLAUPTPN1F2
SCHEMBL2779319 0.74 ALDH1A1 (0.56) PARP10PARP1PLAUPTPN1F2
SCHEMBL23909588 0.72 CA1 (0.45) PARP10PARP1PLAUPTPN1F2

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 1395/4885MEN1 1563/4885

“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.