SCHEMBL2145662

SCHEMBL2145662

Nc1ccc([N+](=O)[O-])c(N)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.50
POLB P06746 2/20 0.50
ALOX15 P16050 1/20 0.50
USP2 O75604 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.42
GPR35 Q9HC97 1/20 0.41
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL304540 0.84 TDP1 (0.52) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL6048769 0.84 MEN1 (0.48) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL30488438 0.84 MEN1 (0.48) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL597745 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL11108047 0.82 TDP1 (0.54) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL15220550 0.81 TDP1 (0.56) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL27832802 0.81 MEN1 (0.53) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL11048248 0.81 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL27540387 0.81 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL1962854 0.79 GPR35 (0.55) ALDH1A1TDP1MEN1KMT2AMAPT

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
EP-3238815-B1 COMPOSITE SEMIPERMEABLE MEMBRANE TORAY INDUSTRIES (JP) 2026-01-28 EP disclosed
CN-107106999-B Composite semipermeable membrane 东丽株式会社 2019-06-21 CN disclosed
US-10143976-B2 Composite semipermeable membrane TORAY INDUSTRIES, INC. (JP) 2018-12-04 US disclosed
US-20170368510-A1 COMPOSITE SEMIPERMEABLE MEMBRANE TORAY INDUSTRIES, INC. (JP) 2017-12-28 US disclosed
EP-3238815-A1 COMPOSITE SEMIPERMEABLE MEMBRANE Toray Industries, Inc. (JP) 2017-11-01 EP disclosed
CN-107106999-A Composite semipermeable membrane 东丽株式会社 2017-08-29 CN disclosed
US-9034794-B2 Method for post-emergence crabgrass control FMC CORPORATION (US) 2015-05-19 US disclosed
US-8664348-B2 2,4,5-triaminophenols and related compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-04 US disclosed
US-8580910-B2 2,4,5-triaminophenols and related compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-11-12 US disclosed
US-20130204041-A1 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS E I DU PONT DE NEMOURS AND COMPAN (US) 2013-08-08 US disclosed
US-5633406-A AMINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-05-27 US disclosed
WO-1996035659-A1 AMINATION OF ELECTROPHILIC AROMATIC COMPOUNDS BY VICARIOUS NUCLEOPHILIC SUBSTITUTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-11-14 WO disclosed
US-4046758-A INTERMEDIATES FOR HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1977-09-06 US disclosed
US-3968138-A HERBICIDE UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-07-06 US disclosed
US-3968138-A HERBICIDE UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-07-06 US disclosed
US-3966816-A HERBICIDE INTERMEDIATES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-06-29 US disclosed
US-3910783-A Dinitro-1,3-p VELSICOL CHEMICAL CORPORATION 1975-10-07 US disclosed
US-3903078-A Herbicidal dinitro-1,3-phenylenediamine compounds UNITED STATES BORAX CHEM 1975-09-02 US disclosed
US-3903078-A Herbicidal dinitro-1,3-phenylenediamine compounds UNITED STATES BORAX CHEM 1975-09-02 US disclosed
US-3764623-A HERBICIDAL DINITRO-1,3-PHENYLENEDIAMINE COMPOUNDS VELSICOL CHEMICAL CORPORATION 1973-10-09 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-20130204041-A1 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS WDR48, AADAC, DDX41 ALDH1A1 1701/4885TDP1 116/4885MEN1 3362/4885

“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.