SCHEMBL505590

SCHEMBL505590

COC(=O)c1cccc(I)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 4/20 0.56
CFTR P13569 2/20 0.56
TSHR P16473 3/20 0.48
LMNA P02545 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA5A P35218 1/20 0.46
KDM4E B2RXH2 5/20 0.46
ATM Q13315 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 6/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL2895994 0.86 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRTSHRLMNA
SCHEMBL505249 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10CFTRTSHRLMNA
SCHEMBL31589985 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10CFTRTSHRLMNA
SCHEMBL17707765 0.81 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRLMNACA1
SCHEMBL63699 0.80 TSHR (0.61) ALDH1A1HSD17B10CFTRTSHRLMNA
SCHEMBL31038441 0.79 LMNA (0.66) ALDH1A1HSD17B10CFTRTSHRLMNA
SCHEMBL14828745 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRTSHRLMNA
SCHEMBL31634613 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRTSHRLMNA
SCHEMBL9639243 0.79 TSHR (0.55) ALDH1A1HSD17B10CFTRTSHRLMNA
SCHEMBL30631292 0.79 CA1 (0.53) ALDH1A1HSD17B10CFTRTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220046923-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-02-17 US disclosed
EP-3898594-A1 HERBICIDAL CINNOLINIUM COMPOUNDS Syngenta Crop Protection AG (CH) 2021-10-27 EP disclosed
CN-109071411-B Method for producing nitrobenzene compound 组合化学工业株式会社 2021-08-27 CN disclosed
CN-113195455-A Herbicidal cinnolinium compounds 先正达农作物保护股份公司 2021-07-30 CN disclosed
EP-3456705-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2020-12-16 EP disclosed
WO-2020127168-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-06-25 WO disclosed
EP-3456705-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND Kumiai Chemical Industry Co., Ltd. (JP) 2019-03-20 EP disclosed
CN-109071411-A The method for manufacturing nitrobenzene compound 组合化学工业株式会社 2018-12-21 CN disclosed
CN-108602812-A It can be used as the bicycle hydroxamic acid compound of the inhibitor of mammal histone deacetylase activity 坎塞拉有限公司 2018-09-28 CN disclosed
EP-3015451-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-01-17 EP disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-6187779-B1 ADMINISTERING ANTITUMOR AGENTS TO TREAT COLON CANCER CELL PATHWAYS, INC. 2001-02-13 US disclosed
US-5721238-A ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-24 US disclosed
CN-1134417-A 2, 8-disubstituted quinazolinones BAYER AG (DE) 1996-10-30 CN 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD ALDH1A1 95/4885HSD17B10 199/4885CFTR 3051/4885
US-20220046923-A1 HERBICIDAL CINNOLINIUM COMPOUNDS DDT, DERL1, CES2 ALDH1A1 34/4885HSD17B10 141/4885CFTR 1028/4885

“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.