SCHEMBL366123

SCHEMBL366123

C=Cc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
TSHR P16473 1/20 0.53
VCAM1 P19320 1/20 0.50
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PDE7A Q13946 7/20 0.45
PDE7B Q9NP56 4/20 0.45
KIF18A Q8NI77 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29880479 0.85 MAPK1 (0.58) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL16952297 0.85 MAPK1 (0.58) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL11741496 0.85 MAPK1 (0.57) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL11741510 0.85 MAPK1 (0.57) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL203086 0.83 MAPK1 (0.55) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL29708112 0.83 MAPK1 (0.55) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL5170556 0.81 MAPK1 (0.53) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL30929373 0.79 ALDH1A1 (0.57) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL17341954 0.79 ALDH5A1 (0.44) MAPK1VCAM1ALDH1A1POLBKDM4A
SCHEMBL6410654 0.79 ALDH1A1 (0.57) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113509959-A Preparation method of hollow mesoporous nano silicon spheres for packaging chiral catalyst, product and application thereof 重庆邮电大学 2021-10-19 CN disclosed
CN-107641086-B Synthetic method of nitroolefin compound 浙江工业大学 2020-05-22 CN disclosed
CN-107641086-A A kind of synthetic method of nitro compds hydrocarbon compound 浙江工业大学 2018-01-30 CN disclosed
CN-105085520-B 3 (2 nitro, 1 phenethyl) 2 (2 phenylimidazoles simultaneously [1,2 α] pyridine) class compound 郑州大学 2017-03-29 CN disclosed
EP-2632269-B1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2017-03-15 EP disclosed
US-9221834-B2 Cyclic amine substituted oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-20130331372-A1 Cyclic Amine Substituted Oxazolidinone CETP Inhibitor MERCK SHARP & DOHME CORP. 2013-12-12 US disclosed
EP-2632269-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-8293926-B2 Method of producing optically active 4-amino-3-substituted phenylbutanoic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
WO-2012058187-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
WO-2012009372-A2 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-01-19 WO disclosed
US-20100130795-A1 METHOD FOR PRODUCING BETA-NITROSTYRENE COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20090137819-A1 Method of Producing Optically Active 4-Amino-3-Substituted Phenylbutanoic Acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 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 (3 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-20100130795-A1 METHOD FOR PRODUCING BETA-NITROSTYRENE COMPOUND NAT1, NOS1, NOS2 MAPK1 2077/4885TSHR 3999/4885VCAM1 2734/4885
US-20130331372-A1 Cyclic Amine Substituted Oxazolidinone CETP Inhibitor CETP, APOB, MTTP MAPK1 2630/4885TSHR 3756/4885VCAM1 1215/4885
US-20090137819-A1 Method of Producing Optically Active 4-Amino-3-Substituted Phenylbutanoic Acid ALAD, ATP6V1B1, DAO MAPK1 1331/4885TSHR 3212/4885VCAM1 2691/4885

“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.