SCHEMBL7735923

SCHEMBL7735923

O=c1[nH]c2ccccc2n1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 15/20 1.00
FEN1 P39748 3/20 0.60
CA12 O43570 1/20 0.60
RNASEH1 O60930 1/20 0.60
ERCC1 P07992 1/20 0.60
ERCC5 P28715 1/20 0.60
CA9 Q16790 1/20 0.60
ERCC4 Q92889 1/20 0.60
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL31741258 1.00 DAO (1.00) DAOFEN1CA12RNASEH1ERCC1
SCHEMBL7349965 0.79 DAO (0.66) DAOFEN1CA12RNASEH1ERCC1
SCHEMBL12801790 0.78 DAO (0.64) DAOFEN1CA12RNASEH1ERCC1
SCHEMBL29991182 0.76 DAO (0.61) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL29933774 0.75 FEN1 (1.00) DAOFEN1CA12RNASEH1ERCC1
SCHEMBL1520708 0.75 FEN1 (1.00) DAOFEN1CA12RNASEH1ERCC1
SCHEMBL29934205 0.75 DAO (0.60) DAOFEN1CA12RNASEH1ERCC1
SCHEMBL11431122 0.75 DAO (0.60) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL4558163 0.75 DAO (0.60) DAOFEN1CA12RNASEH1ERCC1
SCHEMBL981536 0.74 DAO (0.59) DAOPOLBMEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048900-A FOR TREATING EATING DISORDERS, INSULIN RESISTANT DIABETES, HYPERTENSION, HYPERLIPEMIA BAYER CORPORATION (US) 2000-04-11 US claimed
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 US disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 US disclosed
US-9505753-B2 Inhibitors of D-amino acid oxidase THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US disclosed
US-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-06 US disclosed
US-8362270-B2 Self-assembled nanostructures XEROX CORPORATION (US) 2013-01-29 US disclosed
US-20110282072-A1 SELF-ASSEMBLED NANOSTRUCTURES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-11-17 US disclosed
US-8025723-B2 Nonpolar liquid and solid phase change ink compositions comprising nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2011-09-27 US disclosed
US-20100300326-A1 NONPOLAR LIQUID AND SOLID PHASE CHANGE INK COMPOSITIONS COMPRISING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-12-02 US disclosed
WO-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 WO disclosed
US-6410792-B1 OBESITY DISEASES BAYER CORPORATION 2002-06-25 US disclosed
US-6048900-A FOR TREATING EATING DISORDERS, INSULIN RESISTANT DIABETES, HYPERTENSION, HYPERLIPEMIA BAYER CORPORATION (US) 2000-04-11 US 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 (5 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-20110282072-A1 SELF-ASSEMBLED NANOSTRUCTURES RB1, CNKSR1, RBBP4 DAO 4306/4885FEN1 3652/4885CA12 2930/4885
US-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, GRIN2A DAO 2/4885FEN1 4265/4885CA12 2866/4885
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 DAO 1402/4885FEN1 3082/4885CA12 1553/4885
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 DAO 1392/4885FEN1 3058/4885CA12 1508/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 DAO 1402/4885FEN1 3082/4885CA12 1553/4885

“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.