SCHEMBL4047966

SCHEMBL4047966

O=C1c2ccccc2C(=O)N1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.67
ALDH1A1 P00352 5/20 0.63
HTT P42858 1/20 0.63
CA12 O43570 3/20 0.59
CA9 Q16790 3/20 0.59
CA2 P00918 2/20 0.59
ACHE P22303 3/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
GRM5 P41594 1/20 0.52
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.51
CA1 P00915 1/20 0.48
GSK3B P49841 2/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL18688200 0.86 TYR (0.54) TYRALDH1A1HTTCA12CA9
SCHEMBL3247865 0.86 TYR (0.54) TYRALDH1A1HTTCA12CA9
SCHEMBL11259884 0.86 GRM5 (0.58) TYRALDH1A1HTTCA12CA9
SCHEMBL6675068 0.85 ALDH1A1 (0.61) TYRALDH1A1HTTCA12CA9
SCHEMBL18954615 0.83 ACHE (0.73) TYRALDH1A1HTTCA12CA9
SCHEMBL6678039 0.83 TYR (0.51) TYRALDH1A1HTTCA12CA9
SCHEMBL540147 0.82 ACHE (0.60) TYRALDH1A1HTTCA12CA9
SCHEMBL540166 0.82 GRM5 (0.52) TYRALDH1A1HTTCA12CA9
SCHEMBL11259879 0.82 GRM5 (0.60) TYRALDH1A1HTTCA12CA9
SCHEMBL9196876 0.82 MEN1 (0.50) TYRALDH1A1HTTCA12CA9

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10106502-B2 Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-10-23 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
WO-2013067036-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-05-10 WO disclosed
WO-2013067036-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-05-10 WO disclosed
WO-2009029625-A1 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
WO-2009029625-A1 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed
US-4362666-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1982-12-07 US disclosed
US-4316900-A Piperazinopyrrolobenzodiazepines CIBA-GEIGY CORPORATION (US) 1982-02-23 US disclosed
EP-0001585-B1 PIPERAZINO-PYRROLOBENZODIAZEPINES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1981-07-22 EP disclosed
EP-0001585-A1 Piperazino-pyrrolobenzodiazepines, methods for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-05-02 EP 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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 TYR 1984/4885ALDH1A1 1021/4885HTT 1433/4885
US-10106502-B2 Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators KEAP1, NFE2L2, HMOX1 TYR 1984/4885ALDH1A1 1021/4885HTT 1433/4885
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 TYR 1984/4885ALDH1A1 1021/4885HTT 1433/4885

“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.