SCHEMBL4723192

SCHEMBL4723192

O=[N+]([O-])C=Cc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.58
RXRA P19793 1/20 0.58
FBP1 P09467 4/20 0.53
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
PRMT1 Q99873 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
NTSR1 P30989 1/20 0.47
VCP P55072 2/20 0.46
HSP90AA1 P07900 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL30914655 1.00 NFE2L2 (0.58) NFE2L2RXRAFBP1TLR4TLR2
SCHEMBL470811 1.00 NFE2L2 (0.58) NFE2L2RXRAFBP1TLR4TLR2
SCHEMBL17103950 0.85 RXRA (0.54) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL17103952 0.85 RXRA (0.54) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL1806005 0.82 ERN1 (0.55) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL31627974 0.82 RXRA (0.51) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL17104087 0.82 RXRA (0.51) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL1806009 0.82 ERN1 (0.55) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL17104088 0.82 RXRA (0.51) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL9100883 0.82 RXRA (0.51) 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116613-B Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2021-04-23 CN claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
CN-103848830-B A kind of simple and easy method of synthesis imidazo [1,2-α] pyridine derivate 淮阴师范学院 2016-08-03 CN claimed
EP-2982368-A1 Small molecule compounds displacing focal adhesion core components Universität Konstanz (DE) 2016-02-10 EP claimed
CN-102115446-B Method for catalytically synthesizing chiral curcumin analogs UNIV EAST CHINA SCIENCE & TECH 2014-05-07 CN claimed
CN-115521208-B Novel coronavirus 3CL protease inhibitor and application 天津科技大学 2023-09-01 CN disclosed
CN-111116613-B Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2021-04-23 CN disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
CN-107827774-A Nitrosamine compound containing two fluoro ethyls and preparation method thereof 遵义医学院 2018-03-23 CN disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN disclosed
CN-101263107-A Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LAB (US) 2008-09-10 CN disclosed
US-7417054-B2 Naphthyridine compounds JANSSEN PHARMACEUTICA N.V. (BG) 2008-08-26 US disclosed
CN-101243083-A Naphthyridine compounds JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
EP-1899334-A2 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
WO-2006138714-A2 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO disclosed
US-20060287292-A1 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 US disclosed
EP-0300249-A1 7-[1H-pyrrol-3-yl]-substituted 3,5-dihydroxy-heptane acids, their corresponding delta-lactones and salts, processes for their manufacture, their use as medicines, pharmaceutical preparations and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-25 EP disclosed
US-3931220-A FUNGICIDE, BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (1 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-20060287292-A1 NAPHTHYRIDINE COMPOUNDS HRH3, HRH4, HRH1 NFE2L2 1265/4885RXRA 3323/4885FBP1 2400/4885

“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.