SCHEMBL1735227

SCHEMBL1735227

O=[N+]([O-])c1ccc(OCCCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PTGS2 P35354 2/20 0.53
LTA4H P09960 1/20 0.53
PTGS1 P23219 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50

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
SCHEMBL2974984 0.92 DRD2 (0.59) KCNH2DRD2DRD4DRD3MAPT
P-Nitrophenol SCHEMBL7697743 0.92 MAPT (0.51) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL3534383 0.91 HRH3 (0.59) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL7955666 0.90 ALDH1A1 (0.56) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL6228523 0.88 MAPT (0.65) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL9570575 0.86 DRD2 (0.65) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL10554981 0.84 HRH3 (0.69) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL9570561 0.84 HRH3 (0.69) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL10501147 0.84 LMNA (0.54) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL10558691 0.84 HRH3 (0.69) KCNH2DRD2DRD4DRD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257069-A1 JAK INHIBITOR ANALOGS, FORMULATIONS, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2025-08-14 US disclosed
CN-119923257-A JAK inhibitor analogues, formulations and uses thereof 密歇根大学董事会 2025-05-02 CN disclosed
WO-2023201044-A2 JAK INHIBITOR ANALOGS, FORMULATIONS, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-19 WO disclosed
EP-3395795-B1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-07-19 EP disclosed
CN-109593064-B Dithiocarbamate compounds as BTK inhibitors 北京博远精准医疗科技有限公司 2020-08-11 CN disclosed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 US disclosed
US-20180362450-A1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-12-20 US disclosed
EP-3395795-A1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2018-10-31 EP disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
CN-87103300-A Antiarrhythmic and preparation method thereof 1987-11-11 CN disclosed
EP-0147973-A1 Tetrazolcarboxanilid derivatives Lilly Industries Limited (GB) 1985-07-10 EP disclosed
US-4206144-A N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts STERLING DRUG INC. (US) 1980-06-03 US disclosed
US-4146558-A Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group STERLING DRUG INC. (US) 1979-03-27 US disclosed
US-4103092-A Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1978-07-25 US disclosed
US-4065500-A Water-soluble quaternary ammonium azo dyestuffs STERLING DRUG INC. (US) 1977-12-27 US disclosed
US-4013452-A Urea derivatives and their use as herbicides HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-3996282-A Water-soluble quaternary ammonium dyestuffs STERLING DRUG INC. (US) 1976-12-07 US disclosed
US-3937726-A UREA DERIVATIVES AND THEIR USE AS HERBICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-10 US disclosed
US-3935182-A Water-soluble quaternary ammonium heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1976-01-27 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 KCNH2 3963/4885DRD2 3687/4885DRD4 1380/4885
US-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 KCNH2 3803/4885DRD2 400/4885DRD4 191/4885
US-20180362450-A1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF ME1, MAL2, ME3 KCNH2 3963/4885DRD2 3687/4885DRD4 1380/4885
US-20250257069-A1 JAK INHIBITOR ANALOGS, FORMULATIONS, AND USES THEREOF JAK1, JAK3, JAK2 KCNH2 4532/4885DRD2 4325/4885DRD4 4763/4885

“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.