SCHEMBL66843

SCHEMBL66843

[CH2]c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.59
TSHR P16473 1/20 0.59
VCAM1 P19320 1/20 0.55
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PDE7A Q13946 7/20 0.49
PDE7B Q9NP56 4/20 0.49
KIF18A Q8NI77 1/20 0.47
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3126220 0.83 MAPK1 (0.64) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL1524058 0.80 MAPK1 (0.72) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL29394047 0.78 MAPK1 (0.69) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL358730 0.78 MAPK1 (0.69) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL6125034 0.78 MAPK1 (0.63) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
Ammonia Solution, Strong SCHEMBL28805237 0.77 MAPK1 (0.67) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL306375 0.77 ALDH1A1 (0.64) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL29580152 0.77 ALDH1A1 (0.64) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL2149474 0.77 MAPK1 (0.61) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL232696 0.77 TDP1 (0.61) MAPK1TSHRALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3565484-B1 COMPOSITIONS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS CONTRALINE INC (US) 2024-04-03 EP claimed
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
EP-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 EP claimed
EP-0128563-B1 IMPROVED ANTIFOGGANT PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-04 EP claimed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US claimed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 EP claimed
EP-0045570-B1 USE OF ORGANIC HALOGEN COMPOUNDS TO REDUCE OR PREVENT FOG IN NEGATIVE-WORKING SILVER HALIDE EMULSIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-28 EP claimed
WO-2023224108-A1 NUCLEOSIDE DERIVATIVE AND USE THEREOF 株式会社GF・Mille 2023-11-23 WO disclosed
US-11780874-B2 Nucleoside derivative and use thereof YAMASA CORPORATION (JP) 2023-10-10 US disclosed
US-20230265120-A1 NUCLEOSIDE DERIVATIVE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2023-08-24 US disclosed
US-11643432-B2 Nucleoside derivative and use thereof NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2023-05-09 US disclosed
US-20230011179-A1 NUCLEOSIDE DERIVATIVE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2023-01-12 US disclosed
US-20220220134-A1 PHOSPHOHISTIDINE MIMETICS AND ANTIBODIES TO SAME THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2022-07-14 US disclosed
WO-1997000866-A1 PESTICIDAL TRIS-OXIMINO HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 1997-01-09 WO disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
EP-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 EP disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 EP disclosed
CN-86104207-A The pesticidal use of many halogen alkene derivatives 1987-04-01 CN disclosed
US-4472191-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-09-18 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 (5 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-20230265120-A1 NUCLEOSIDE DERIVATIVE AND USE THEREOF PNP, NT5C3B, NUDT1 MAPK1 1437/4885TSHR 233/4885VCAM1 4345/4885
US-11643432-B2 Nucleoside derivative and use thereof PNP, NT5C3B, NUDT1 MAPK1 1385/4885TSHR 247/4885VCAM1 4346/4885
US-20230011179-A1 NUCLEOSIDE DERIVATIVE AND USE THEREOF NT5C3B, NUDT1, PNP MAPK1 1434/4885TSHR 968/4885VCAM1 4602/4885
US-11780874-B2 Nucleoside derivative and use thereof NSUN2, NSUN3, ADAR MAPK1 2479/4885TSHR 444/4885VCAM1 4751/4885
US-20220220134-A1 PHOSPHOHISTIDINE MIMETICS AND ANTIBODIES TO SAME PHPT1, CD4, CD81 MAPK1 1989/4885TSHR 2445/4885VCAM1 272/4885

“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.