SCHEMBL2596737

SCHEMBL2596737

Cc1nccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
NPY1R P25929 1/20 0.35
PKM P14618 2/20 0.34
PAX8 Q06710 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL15201483 0.80 PDE3B (0.39) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL30197316 0.80 ALDH1A1 (0.54) ALDH1A1TDP1KMT2AMEN1TSHR
SCHEMBL843559 0.80 ALDH1A1 (0.54) ALDH1A1TDP1KMT2AMEN1TSHR
Ammonia Solution, Strong SCHEMBL27851817 0.78 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMEN1TSHR
SCHEMBL28363572 0.77 TYMS (0.36) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL11713155 0.77 MAPT (0.45) ALDH1A1KMT2ANPC1MAPTRAB9A
SCHEMBL18032590 0.77 ALDH1A1 (0.41) ALDH1A1TDP1KMT2AMEN1TSHR
SCHEMBL2972185 0.77 ALDH1A1 (0.44) ALDH1A1TDP1KMT2AMEN1TSHR
SCHEMBL31481292 0.77 GPR35 (0.44) ALDH1A1TDP1KMT2AMEN1TSHR
SCHEMBL2596971 0.77 GPR35 (0.44) ALDH1A1TDP1KMT2AMEN1TSHR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410125-A Preparation method of 2-methyl-3-nitro-4-hydroxypyridine 嘉兴逸泰生物科技有限公司 2023-07-11 CN disclosed
CN-109476635-A For treating the disubstituted pyrazole class compound of disease FGH生物科技公司 2019-03-15 CN disclosed
CN-108883099-A THIAZOLIDINONE COMPOUNDS AND USE THEREOF 石全 2018-11-23 CN disclosed
CN-107847498-A tetra-substituted olefin compound and use thereof 卫材R&D管理有限公司 2018-03-27 CN disclosed
CN-107406462-A Tricyclic DLK inhibitors and uses thereof 豪夫迈·罗氏有限公司 2017-11-28 CN disclosed
CN-107250110-A The noval chemical compound of (RET) inhibitor is reset as transfection 葛兰素史克知识产权发展有限公司 2017-10-13 CN disclosed
CN-107106561-A Heparan sulfate biosynthesis inhibitor for treating disease 生物马林药物股份有限公司 2017-08-29 CN disclosed
CN-103261198-B 2-Aryimidazole is also [1,2-a] pyridine and also [1,2-a] pyrazines derivatives of 2-phenylimidazole of [1,2-b] pyridazine, 2-phenylimidazole also 江苏恒瑞医药股份有限公司 2016-06-08 CN disclosed
CN-105579452-A New 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV 2016-05-11 CN disclosed
CN-102574845-B 1H-imidazo [4,5-c] qualone derivative NOVARTIS AG (CH) 2015-09-02 CN disclosed
CN-104603134-A Amido-benzyl sulfone and sulfoxide derivatives GENENTECH INC 2015-05-06 CN disclosed
CN-104520290-A Amido spirocyclic amide and sulfonamide derivatives GENENTECH INC 2015-04-15 CN disclosed
CN-104507936-A Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives FORMA TM LLC 2015-04-08 CN disclosed
CN-103189377-B N1/n2-lactam acetyl-coa carboxylase inhibitors PFIZER 2015-02-25 CN disclosed
CN-102695708-B N1-pyrazolospiroketone acetyl-coA carboxylase inhibitors PFIZER INC. (US) 2014-10-15 CN disclosed
CN-102459272-B Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH INC 2014-08-06 CN disclosed
US-20130324528-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 US disclosed
CN-102574845-A 1h-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG 2012-07-11 CN disclosed
CN-102459272-A Bicyclic pyrimidine pi3k inhibitor compounds selective for p110 delta, and methods of use GENENTECH INC 2012-05-16 CN disclosed
WO-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 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 (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-20130324528-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 ALK, ALKBH5, ALKBH3 ALDH1A1 134/4885TDP1 1648/4885KMT2A 1750/4885

“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.