SCHEMBL436389

SCHEMBL436389

[O]C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
CTSD P07339 1/20 0.61
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
ALPL P05186 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL10613860 0.84 ALDH1A1 (0.68) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL975117 0.84 ALDH1A1 (0.68) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL29696138 0.83 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL30727560 0.83 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL78205 0.83 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL4078013 0.82 ALDH1A1 (0.64) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL7437947 0.82 GPR35 (0.58) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL6971514 0.82 ALDH1A1 (0.76) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL7900372 0.81 ALDH1A1 (0.63) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL334763 0.81 ALDH1A1 (0.63) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP claimed
EP-3064489-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF Ube Industries, Ltd. (JP) 2016-09-07 EP claimed
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF UBE INDUSTRIES, LTD. (JP) 2016-08-25 US claimed
US-20160185743-A1 15-Oxospiramilactone Derivatives, Preparation Method and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-30 US claimed
EP-1934243-A1 RING-CLOSING METATHESIS PROCESS FOR THE PREPARATION OF MACROCYCLIC PEPTIDES Boehringer Ingelheim International GmbH (DE) 2008-06-25 EP claimed
WO-2007030656-A1 RING-CLOSING METATHESIS PROCESS FOR THE PREPARATION OF MACROCYCLIC PEPTIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-15 WO claimed
EP-0836592-A1 AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1998-04-22 EP claimed
WO-1997002249-A1 NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-23 WO claimed
US-5196437-A Macrolide FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1993-03-23 US claimed
EP-0196026-B1 FUNCTIONAL DERIVATIVES OF PHOSPHORUS CONTAINING ACETIC ACIDS, PROCESS FOR THEIR PREPARATION AND HERBICIDAL AND PLANT GROWTH REGULATOR COMPOSITION CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-31 EP claimed
EP-0237964-A2 2-Azolylmethyl-2-aryl-1,3-dioxolanes and their salts, processes for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP claimed
US-4291047-A Combating fungi with α-azolyl-β-hydroxy-ketones BAYER AKTIENGESELLSCHAFT (DE) 1981-09-22 US claimed
JP-1246282-A None JP disclosed
JP-1246283-A None JP disclosed
JP-10218888-A None JP disclosed
EP-4301398-A1 URIDINE PHOSPHORYLASE INHIBITORS TO PREVENT OR TREAT DRUG-INDUCED PULMONARY DYSFUNCTION Tosk, Inc. (US) 2024-01-10 EP disclosed
US-3998999-A Process for preparing pyrazomycin and pyrazomycin B HOFFMANN-LA ROCHE INC. (US) 1976-12-21 US disclosed
US-3978063-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-31 US disclosed
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed
US-3963725-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-06-15 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 (2 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-20160185743-A1 15-Oxospiramilactone Derivatives, Preparation Method and Uses Thereof WNT1, WNT3, WNT3A ALDH1A1 542/4885CTSD 3668/4885CYP1A2 3003/4885
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF SLCO1B1, SLCO2B1, SLCO1B3 ALDH1A1 414/4885CTSD 2903/4885CYP1A2 85/4885

“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.