SCHEMBL975117

SCHEMBL975117

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
CTSD P07339 1/20 0.63
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
ALPL P05186 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
NCOA1 Q15788 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
GPR35 Q9HC97 1/20 0.52

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
SCHEMBL11282500 0.90 KCNMA1 (0.59) ALDH1A1CTSDNPC1RAB9ACYP1A2
SCHEMBL5705801 0.90 TSHR (0.59) ALDH1A1CTSDNPC1RAB9ATSHR
SCHEMBL8578210 0.89 LMNA (0.62) ALDH1A1CTSDNPC1RAB9AKDM4E
SCHEMBL27634668 0.89 CTSD (0.57) ALDH1A1CTSDNPC1RAB9ACYP1A2
SCHEMBL8575758 0.89 CTSD (0.57) ALDH1A1CTSDNPC1RAB9ACYP1A2
SCHEMBL4693019 0.89 ALDH1A1 (0.57) ALDH1A1CTSDNPC1RAB9ACYP1A2
SCHEMBL411359 0.88 ALDH1A1 (0.59) ALDH1A1CTSDNPC1RAB9ATSHR
SCHEMBL27637513 0.88 ALDH1A1 (0.59) ALDH1A1CTSDNPC1RAB9ATSHR
SCHEMBL10902711 0.87 ALDH1A1 (0.54) ALDH1A1CTSDNPC1RAB9ACYP1A2
SCHEMBL10613860 0.86 ALDH1A1 (0.68) 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 174 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912618-A Structure, preparation and application of lithium extraction resin 北京索特莱克科技发展有限公司 2025-05-02 CN claimed
CN-109400481-B Method for synthesizing 3,3' -diaminobenzophenone by one-pot method 宏威高新材料有限公司 2021-11-30 CN claimed
CN-104119285-A Compound used as estrogen-related receptor regulator and application of compound GUANGZHOU INST BIOMED & HEALTH 2014-10-29 CN claimed
CN-104016898-A 3,4-disubstituted pyrrole compound as well as preparation method and application thereof UNIV SHANGHAI JIAOTONG 2014-09-03 CN claimed
EP-1437749-B1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR RUBYCON CORP (JP) 2013-07-17 EP claimed
CN-101175728-B Process for the preparation of a carboxamide derivative BAYER CROPSCIENCE AG 2011-05-18 CN claimed
US-7872146-B2 Process for the preparation of a carboxamide derivative BAYER CROPSCIENCE AG (DE) 2011-01-18 US claimed
EP-1881963-B1 PROCESS FOR THE PREPARATION OF A CARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-07-14 EP claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
US-20090062552-A1 PROCESS FOR THE PREPARATION OF A CARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2009-03-05 US claimed
EP-0577945-A1 Herbicide intermediate o-nitrophenyl cyclopropyl ketone and a method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1994-01-12 EP claimed
EP-0098677-B1 PROCESS FOR PREPARING DINITROBENZOPHENONES CHEVRON RESEARCH COMPANY (US) 1989-06-14 EP claimed
EP-0098681-B1 NOVEL DINITROBENZOPHENONE SOLUTION AND PROCESS FOR PREPARING AN ETHER SOLUTION OF DIAMINOBENZOPHENONES THEREFROM CHEVRON RESEARCH COMPANY (US) 1988-08-17 EP claimed
US-4560721-A HYDROGENATION DINITROBENZOPHENONE, REACTRING WITH AROMATIC DIANHYDRIDE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1985-12-24 US claimed
US-4560800-A REACTING BENZOPHENONE WITH NITRIC ACID IN OLEUM, ADJUSTMENT OF WATER CONTENT, AND SOLVENT EXTRACTION WITH CHLORINATED HYDROCARBON GULF RESEARCH & DEVELOPMENT CO. (US) 1985-12-24 US claimed
US-4540818-A Process for preparation of 3,3'- or 3,4'-diaminodiphenylmethane MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-10 US claimed
US-4474989-A Process for preparing dinitrobenzophenones GULF RESEARCH & DEVELOPMENT COMPANY (US) 1984-10-02 US claimed
EP-0098677-A2 Process for preparing dinitrobenzophenones CHEVRON RESEARCH COMPANY (US) 1984-01-18 EP claimed
EP-0098681-A2 Novel dinitrobenzophenone solution and process for preparing an ether solution of diaminobenzophenones therefrom CHEVRON RESEARCH COMPANY (US) 1984-01-18 EP claimed
US-4352942-A TREATMENT OF ISOMERIC MIXTURE OF NITRO AROMATIC KETO COMPOUNDS WITH OLEUM GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-05 US claimed

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-20090062552-A1 PROCESS FOR THE PREPARATION OF A CARBOXAMIDE DERIVATIVE CPS1, SDHA, CS ALDH1A1 284/4885CTSD 340/4885NPC1 2887/4885

“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.