SCHEMBL15345358

SCHEMBL15345358

NCc1cc(C(N)=O)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.48
PARP10 Q53GL7 1/20 0.47
HTR2A P28223 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
PARP1 P09874 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41

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 0.81 PARP10 (0.49) PARP10MEN1KMT2AALDH1A1KDM4E
SCHEMBL158322 0.77 NQO2 (0.53) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7518100 0.77 KDM4E (0.55) KDM2BMEN1KMT2AALDH1A1KDM4E
SCHEMBL158321 0.77 KDM4E (0.46) PARP10MEN1KMT2AALDH1A1KDM4E
SCHEMBL11688186 0.75 KMT2A (0.46) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL2185660 0.75 SLC9A1 (0.50) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL8782950 0.74 NQO2 (0.55) KDM2BHTR2AMEN1KMT2AALDH1A1
SCHEMBL4578803 0.73 ALDH1A1 (0.68) PARP10ALDH1A1KDM4EGAAMAPT
SCHEMBL10993305 0.72 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL8655955 0.72 HTR2A (0.52) HTR2AALDH1A1KDM4EGAAMAPT

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 KDM2B 1260/4885PARP10 566/4885HTR2A 700/4885

“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.