SCHEMBL9920133

SCHEMBL9920133

COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
MCL1 Q07820 2/20 0.46
COMT P21964 1/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 4/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
ELANE P08246 3/20 0.43
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
KLKB1 P03952 1/20 0.43
CTRB1 P17538 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 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
SCHEMBL18893615 0.86 MAPT (0.52) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5251420 0.85 MAPT (0.58) MAPTMCL1LMNASMN1; SMN2POLB
SCHEMBL11794818 0.85 MAPT (0.48) MAPTMCL1LMNASMN1; SMN2POLB
SCHEMBL11804710 0.83 ALDH1A1 (0.47) MAPTSMN1; SMN2POLBKMT2AMEN1
SCHEMBL6653351 0.79 L3MBTL1 (0.58) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL17149272 0.79 MAPK1 (0.49) MAPTMCL1LMNASMN1; SMN2KMT2A
SCHEMBL9658933 0.78 POLB (0.42) MAPTLMNASMN1; SMN2POLBKMT2A
SCHEMBL2992757 0.77 MAPT (0.58) MAPTLMNASMN1; SMN2POLBKMT2A
SCHEMBL4131369 0.77 MAPT (0.60) MAPTCOMTPOLBKMT2AMEN1
SCHEMBL5038192 0.77 MAPT (0.65) MAPTMCL1COMTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-08 US disclosed
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-08 US disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 WO disclosed
WO-2014073622-A1 METHOD FOR PROMOTING PLANT GROWTH 住友化学株式会社 (JP) 2014-05-15 WO disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 WO disclosed
US-3976780-A Methods of protection against emesis in mammals by administration of a 3-alkoxy-thianaphthene-2-carboxamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES L'ILE-DE-FRANCE (FR) 1976-08-24 US disclosed
US-3954748-A ANTIEMETICS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1976-05-04 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 (4 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A MAPT 4514/4885MCL1 460/4885COMT 4109/4885
US-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 MAPT 2558/4885MCL1 1651/4885COMT 4266/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A MAPT 4514/4885MCL1 460/4885COMT 4109/4885
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH BOLA2; BOLA2B, BROX, TET1 MAPT 3761/4885MCL1 4490/4885COMT 733/4885

“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.