SCHEMBL798354

SCHEMBL798354

Cc1ccccc1/C=C/[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.58
FBP1 P09467 5/20 0.53
TLR4 O00206 2/20 0.53
TLR2 O60603 2/20 0.53
PRMT1 Q99873 1/20 0.51
ALDH1A1 P00352 7/20 0.49
MAPT P10636 5/20 0.49
NPSR1 Q6W5P4 5/20 0.49
HPGD P15428 4/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 2/20 0.49
S1PR4 O95977 2/20 0.49
S1PR1 P21453 2/20 0.49
MAPK1 P28482 2/20 0.49
TLR9 Q9NR96 2/20 0.49
NPC1 O15118 1/20 0.49
ITGA4 P13612 1/20 0.49
TSHR P16473 1/20 0.48
NTSR1 P30989 2/20 0.47

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
SCHEMBL798355 1.00 RXRA (0.58) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL7313258 0.85 RXRA (0.51) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL28594822 0.85 RXRA (0.54) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL5733864 0.78 HSP90AA1 (0.60) RXRAFBP1PRMT1ALDH1A1MAPT
SCHEMBL5733870 0.78 HSP90AA1 (0.60) RXRAFBP1PRMT1ALDH1A1MAPT
SCHEMBL13930333 0.78 RXRA (0.59) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL11077530 0.77 FBP1 (0.56) RXRAFBP1PRMT1ALDH1A1MAPT
SCHEMBL11077527 0.77 FBP1 (0.56) RXRAFBP1PRMT1ALDH1A1MAPT
SCHEMBL9357447 0.76 RXRA (0.58) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL470811 0.76 NFE2L2 (0.58) RXRAFBP1TLR4TLR2PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
CN-110627725-B 4-substituted 5-difluoromethyl-3-nitro-1H-pyrazole compound and preparation method and application thereof 遵义医科大学 2022-10-18 CN disclosed
CN-111217707-B Preparation method of beta-trans-nitroolefin 西北师范大学 2022-09-16 CN disclosed
US-10908162-B2 Methods related to volatile compounds in genitourinary cancers THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-02 US disclosed
CN-111217707-A preparation method of β -trans-nitroolefin 西北师范大学 2020-06-02 CN disclosed
CN-110627725-A 4-substituted 5-difluoromethyl-3-nitro-1H-pyrazole compound and preparation method and application thereof 遵义医科大学 2019-12-31 CN disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
CN-106117113-B Polysubstituted carbazole, derivative and its synthetic method 湘潭大学 2019-08-16 CN disclosed
US-20190128890-A1 METHODS RELATED TO VOLATILE COMPOUNDS IN GENITOURINARY CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-02 US disclosed
EP-2770987-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO disclosed
US-7893062-B2 Pyrrolidine derivatives as dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-02-22 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
EP-2148857-B1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTORS ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-28 EP disclosed
CN-101657418-A Pyrrolidine derivatives as NK1/NK3 receptor dual antagonists HOFFMANN LA ROCHE CH 2010-02-24 CN disclosed
EP-2148857-A1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
US-20090043111-A1 Novel process for ropinirole preparation LIU MEIZHENG 2009-02-12 US disclosed
US-20080275021-A1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-11-06 US disclosed
WO-2008128891-A1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 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 (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-20090043111-A1 Novel process for ropinirole preparation PAH, DRD4, DBH RXRA 4287/4885FBP1 4188/4885TLR4 3040/4885
US-20080275021-A1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS TAC3, TACR2, TACR1 RXRA 2184/4885FBP1 4495/4885TLR4 1465/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 RXRA 4361/4885FBP1 231/4885TLR4 4851/4885

“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.