SCHEMBL1067609

SCHEMBL1067609

Cc1c(CBr)cccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
TSHR P16473 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.44
GPR35 Q9HC97 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 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
SCHEMBL3843755 0.86 TDP1 (0.60) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14641737 0.85 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14363082 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6205360 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL16803358 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL715298 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10902775 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3841885 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL961310 0.81 TSHR (0.67) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5237985 0.81 ALDH1A1 (0.50) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232104-A Method for preparing indazole carboxylic acid 青岛恒宁生物科技有限公司 2022-10-25 CN disclosed
CN-111825654-A Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof 北京酷瓴生物技术有限公司 2020-10-27 CN disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
CN-106061938-B The manufacturing method of 2- (halogenated methyl) -3- methyl nitrobenzene 住友化学株式会社 2019-04-12 CN disclosed
US-9815768-B2 Method for producing 2-(halogenomethyl)-3-methylnitrobenzene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20160332956-A1 METHOD FOR PRODUCING 2-(HALOGENOMETHYL)-3-METHYLNITROBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-11-17 US disclosed
CN-106061938-A Method for producing 2-(halogenomethyl)-3-methylnitrobenzene 住友化学株式会社 2016-10-26 CN disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
WO-2005060456-A2 METHOD FOR TREATING ADAMTS-5-ASSOCIATE DISEASE WYETH (US) 2005-07-07 WO disclosed
WO-2005061459-A1 BIARYL SULFONAMIDES AND METHODS FOR USING SAME WYETH (US) 2005-07-07 WO disclosed
US-20050130973-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-16 US disclosed
CN-1206219-C N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2005-06-15 CN disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed
EP-0021338-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL PREPARATIONS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-10-12 EP disclosed
US-4256748-A INOTROPIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-03-17 US disclosed
EP-0021338-A1 Quinazoline derivatives and pharmaceutical preparations F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-01-07 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 (2 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-20050130973-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC TDP1 2062/4885TSHR 4078/4885SMN1; SMN2 3220/4885
US-20160332956-A1 METHOD FOR PRODUCING 2-(HALOGENOMETHYL)-3-METHYLNITROBENZENE CYP1B1, DNMT1, DNMT3A TDP1 2652/4885TSHR 1157/4885SMN1; SMN2 3141/4885

“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.