SCHEMBL1928079

SCHEMBL1928079

O=C(Cl)c1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 2/20 0.56
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ACP1 P24666 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALOX5 P09917 4/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL728757 0.86 ALDH1A1 (0.66) ALDH1A1TSHRCYP3A4SMN1; SMN2MEN1
SCHEMBL54880 0.86 ALDH1A1 (0.66) ALDH1A1TSHRCYP3A4SMN1; SMN2MEN1
SCHEMBL30410721 0.85 CYP3A4 (0.52) ALDH1A1TSHRCYP3A4SMN1; SMN2MEN1
SCHEMBL91278 0.83 TP53 (0.55) ALDH1A1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL2170079 0.83 CYP3A4 (0.50) ALDH1A1TSHRCYP3A4SMN1; SMN2MEN1
SCHEMBL15054592 0.83 TP53 (0.55) ALDH1A1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL362241 0.81 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4SMN1; SMN2MEN1
SCHEMBL16951368 0.79 CYP3A4 (0.46) ALDH1A1TSHRCYP3A4SMN1; SMN2MEN1
SCHEMBL7596117 0.79 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4SMN1; SMN2MEN1
SCHEMBL11689544 0.79 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4SMN1; SMN2CES2

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 32 patents — showing the first 20. 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
US-10301288-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-05-28 US disclosed
CN-105283443-B Hete rocyclic derivatives and application thereof 株式会社C&C新药研究所 2018-08-17 CN disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20180086741-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2018-03-29 US disclosed
US-9850233-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-12-26 US disclosed
US-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
US-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
US-20160318909-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-03 US disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-1532138-B1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2008-11-19 EP disclosed
US-20080188451-A1 INHIBITORS OF TYROSINE KINASES BREITENSTEIN WERNER 2008-08-07 US disclosed
CN-101045727-A Inhibitors of tyrosine kinases NOVARTIS AG (CH) 2007-10-03 CN disclosed
CN-1324022-C Tyrosine kinase inhibitors NOVARTIS AG (CH) 2007-07-04 CN disclosed
US-20070093506-A1 Inhibitors of tyrosine kinases BREITENSTEIN WERNER 2007-04-26 US disclosed
US-7169791-B2 Inhibitors of tyrosine kinases NOVARTIS AG (CH) 2007-01-30 US disclosed
US-20060167015-A1 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) NOVARTIS AG (CH) 2006-07-27 US disclosed
CN-1675195-A Tyrosine kinase inhibitors NOVARTIS AG (CH) 2005-09-28 CN disclosed
EP-1532138-A1 INHIBITORS OF TYROSINE KINASES Novartis AG (CH) 2005-05-25 EP disclosed
WO-2004005281-A1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2004-01-15 WO 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 (9 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-20070093506-A1 Inhibitors of tyrosine kinases ABL1, BTK, FLT3 ALDH1A1 3475/4885TSHR 1204/4885CYP3A4 1492/4885
US-20180086741-A1 KINASE INHIBITORS SYK, BTK, SRC ALDH1A1 4104/4885TSHR 1329/4885CYP3A4 3139/4885
US-10301288-B2 Kinase inhibitors SYK, BTK, SRC ALDH1A1 4104/4885TSHR 1329/4885CYP3A4 3139/4885
US-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 ALDH1A1 4745/4885TSHR 945/4885CYP3A4 4863/4885
US-20160318909-A1 KINASE INHIBITORS SYK, LYN, BTK ALDH1A1 4245/4885TSHR 466/4885CYP3A4 2366/4885
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A ALDH1A1 1646/4885TSHR 1536/4885CYP3A4 2899/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A ALDH1A1 1646/4885TSHR 1536/4885CYP3A4 2899/4885
US-20080188451-A1 INHIBITORS OF TYROSINE KINASES ABL1, BTK, FLT3 ALDH1A1 3475/4885TSHR 1204/4885CYP3A4 1492/4885
US-20060167015-A1 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) ABL1, CDK2, CDKN1A ALDH1A1 2503/4885TSHR 2444/4885CYP3A4 1455/4885

“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.