SCHEMBL1179577

SCHEMBL1179577

O=[N+]([O-])c1ccc[c]c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GPR35 Q9HC97 2/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 7/20 0.39
TSHR P16473 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
NOS1 P29475 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS2 P35228 1/20 0.39
BLM P54132 1/20 0.39
S100A4 P26447 1/20 0.38

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
SCHEMBL15640032 0.83 ALDH1A1 (0.50) TDP1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL7136437 0.77 TDP1 (0.46) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL33832 0.77 TDP1 (0.46) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL6205052 0.76 TDP1 (0.42) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL41322 0.75 GPR35 (0.54) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL1036583 0.75 TDP1 (0.45) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL7907932 0.75 TDP1 (0.45) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL2075134 0.75 TDP1 (0.45) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL8374 0.75 TDP1 (0.54) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL1179475 0.75 TDP1 (0.45) TDP1KMT2AMEN1GPR35HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012164572-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-06 WO claimed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
CN-117886821-A Nitrogen-containing condensed ring derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-16 CN disclosed
CN-110637015-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-04-02 CN disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2023-03-21 US disclosed
CN-115279741-A 4-phenyl-N- (phenyl) thiazol-2-amine derivatives and related compounds as Aryl Hydrocarbon Receptor (AHR) agonists for the treatment of, for example, angiogenesis-related disorders or inflammatory disorders 医肯纳肿瘤学公司 2022-11-01 CN disclosed
EP-3917907-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Universitá Degli Studi Di Salerno (IT) 2021-12-08 EP disclosed
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 US disclosed
CN-113056265-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2021-06-29 CN disclosed
CN-1083831-C Novel tricyclic compounds and pharmaceutical compositions containing them ASAHI CHEMICAL IND (JP) 2002-05-01 CN disclosed
CN-1295064-A Novel tricyclic compounds and pharmaceutical compositions containing them ASAHI CHEMICAL IND (JP) 2001-05-16 CN disclosed
CN-1265651-A Novel tricyclic compound having saturated ring and pharmaceutical composition thereof ASAHI CHEMICAL IND (JP) 2000-09-06 CN disclosed
CN-1209119-A Novel tricyclic compounds and pharmaceutical compositions containing them ASAHI CHEMICAL IND (JP) 1999-02-24 CN disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
EP-0007210-B1 ESTER DERIVATIVES OF N-TRIFLUORO-ACETYL-N-PHOSPHONOMETHYLGLYCINE AND THE HERBICIDAL USE THEREOF MONSANTO COMPANY (US) 1982-06-02 EP disclosed
US-4218235-A POSTEMERGENCE AND PREEMERGENCE MONSANTO COMPANY (US) 1980-08-19 US disclosed
EP-0007210-A2 Ester derivatives of N-trifluoro-acetyl-N-phosphonomethylglycine and the herbicidal use thereof MONSANTO COMPANY (US) 1980-01-23 EP disclosed
US-4059432-A A 2-SULFONYLOXYETHYL-PHOSPHONIC OR -THIONOPHOSPHONIC ACID DERIVATIVE MITSUBISHI PETROCHEMICAL CO., LTD. (JA) 1977-11-22 US disclosed
US-4059431-A A 2-SULFONYLOXYETHYL-PHOSPHONIC OR -THIONOPHOSPHONIC ACID DERIVATIVE MITSUBISHI PETROCHEMICAL CO., LTD. (JA) 1977-11-22 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-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 TDP1 3915/4885KMT2A 1031/4885MEN1 4851/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 TDP1 3915/4885KMT2A 1031/4885MEN1 4851/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 TDP1 3915/4885KMT2A 1031/4885MEN1 4851/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 TDP1 3915/4885KMT2A 1031/4885MEN1 4851/4885

“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.