SCHEMBL308476

SCHEMBL308476

NC(=O)c1cccc([N+](=O)[O-])c1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CTSD P07339 1/20 0.49
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GPR35 Q9HC97 1/20 0.47
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 1/20 0.44
DHODH Q02127 1/20 0.43
THRB P10828 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLAU P00749 1/20 0.42

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
SCHEMBL27966670 0.84 GPR35 (0.46) TSHRCTSDKMT2AALDH1A1GPR35
SCHEMBL309038 0.84 TSHR (0.64) TSHRCTSDKMT2AALDH1A1GPR35
SCHEMBL1767333 0.84 TSHR (0.50) TSHRCTSDKMT2AALDH1A1GPR35
SCHEMBL27827942 0.82 TSHR (0.62) TSHRCTSDKMT2AALDH1A1GPR35
SCHEMBL3910666 0.82 TSHR (0.53) TSHRCTSDKMT2AALDH1A1GPR35
SCHEMBL29488320 0.82 TSHR (0.53) TSHRCTSDKMT2AALDH1A1GPR35
SCHEMBL11719079 0.81 ALDH1A1 (0.43) TSHRCTSDKMT2AALDH1A1GPR35
SCHEMBL10766788 0.81 CTSD (0.65) TSHRCTSDKMT2AALDH1A1MEN1
SCHEMBL115478 0.81 CTSD (0.65) TSHRCTSDKMT2AALDH1A1MEN1
SCHEMBL10902711 0.81 ALDH1A1 (0.54) TSHRCTSDKMT2AALDH1A1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103936719-A Preparation method and application of benzimidazoles derivatives UNIV CHINA PHARMA 2014-07-23 CN claimed
US-20240279233-A1 MACROCYCLIC TAK1 INHIBITORS AQILION AB (SE) 2024-08-22 US disclosed
EP-4363422-A1 MACROCYCLIC TAK1 INHIBITORS Aqilion AB (SE) 2024-05-08 EP disclosed
CN-117561262-A Macrocyclic TAK1 inhibitors 阿奎利恩有限公司 2024-02-13 CN disclosed
WO-2023275199-A1 MACROCYCLIC TAK1 INHIBITORS AQILION AB (SE) 2023-01-05 WO disclosed
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed
CN-110016025-A A kind of immunomodulator 成都先导药物开发股份有限公司 2019-07-16 CN disclosed
CN-105732414-B The method of control of amide derivatives, the noxious organism control agent containing the amide derivatives and harmful organism 三井化学AGRO株式会社 2019-05-03 CN disclosed
CN-105061251-B Anil 三井化学AGRO株式会社 2019-04-19 CN disclosed
CN-109608443-A Heterocycleamide as protein modulator 葛兰素史密斯克莱知识产权发展有限公司 2019-04-12 CN disclosed
CN-1871209-A Agricultural and horticultural insecticide and method of use thereof MITSUI CHEMICALS INC (JP) 2006-11-29 CN disclosed
CN-1495172-A Irreversible inhibitors of tyrosine kinases ��ʲ 2004-05-12 CN disclosed
CN-1145614-C Irreversible inhibitors of tyrosine kinases, their pharmaceutical use and pharmaceutical compositions ��ʲ 2004-04-14 CN disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US disclosed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 US disclosed
CN-1218456-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 1999-06-02 CN disclosed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP disclosed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 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 (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-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK TSHR 1654/4885CTSD 1860/4885KMT2A 1211/4885
US-20240279233-A1 MACROCYCLIC TAK1 INHIBITORS TAB1, TBK1, IRAK3 TSHR 1754/4885CTSD 3838/4885KMT2A 1921/4885

“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.