SCHEMBL838256

SCHEMBL838256

Nc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
CYP3A4 P08684 2/20 0.71
MAPT P10636 7/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 4/20 0.52
TSHR P16473 3/20 0.52
POLB P06746 2/20 0.52
MAPK1 P28482 1/20 0.52
ALOX15 P16050 1/20 0.52
MCL1 Q07820 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
VCAM1 P19320 2/20 0.48
PDE7A Q13946 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL11548194 0.93 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL29596496 0.91 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL1193334 0.91 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL30458055 0.91 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL1192850 0.91 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL1725673 0.89 ALDH1A1 (0.69) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL4090172 0.89 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL30606309 0.89 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL9069658 0.87 ALDH1A1 (0.56) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL359519 0.85 TSHR (0.60) ALDH1A1CYP3A4TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104876887-A Benzofuroxan derivative and preparation method and application thereof UNIV YANTAI 2015-09-02 CN claimed
CN-109081813-B Benzoheterocycles compounds and application thereof in treating cancers 海创药业股份有限公司 2021-03-26 CN disclosed
CN-109081813-A The purposes of a kind of benzo-heterocycle compound and its treating cancer 成都海创药业有限公司 2018-12-25 CN 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-20130172621-A1 INTEGRATED PROCESSES FOR THE PREPARATION OF POLYBENZIMIDAZOLE PRECURSORS E.I.DU PONT DE NEMOURS AND COMPANY (US) 2013-07-04 US disclosed
US-20130158296-A1 PROCESS FOR THE SYNTHESIS OF 1-AMINO-3-HALO-4,6-DINITROBENZENE E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-20 US disclosed
US-20130158296-A1 PROCESS FOR THE SYNTHESIS OF 1-AMINO-3-HALO-4,6-DINITROBENZENE E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-20 US disclosed
US-20130053573-A1 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-02-28 US disclosed
WO-2004033415-A1 NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-22 WO disclosed
EP-0280156-B1 PROCESS FOR THE PREPARATION OF ACETOACETYLARYLAMIDES-HETEROARYLAMIDES RESPECTIVELY OF DEACTIVED AROMATIC COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed
EP-0280156-A2 Process for the preparation of acetoacetylarylamides-heteroarylamides respectively of deactived aromatic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-31 EP disclosed
US-4619993-A Azo compounds having a 2,4-dinitro-5-thiocyanophenyl diazo component radical SANDOZ LTD. (CH) 1986-10-28 US disclosed
US-4264326-A COLORFASTNESS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1981-04-28 US disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 US disclosed
US-3941832-A Oxime ethers and pesticidal preparations containing them CIBA-GEIGY AG (CH) 1976-03-02 US disclosed
US-3941839-A HERBICIDE CIBA-GEIGY AG (CH) 1976-03-02 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 (4 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-20130172621-A1 INTEGRATED PROCESSES FOR THE PREPARATION OF POLYBENZIMIDAZOLE PRECURSORS PAH, PUF60, PARG ALDH1A1 1579/4885CYP3A4 7/4885MAPT 712/4885
US-20130053573-A1 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS WDR48, DDX41, DDX42 ALDH1A1 1719/4885CYP3A4 188/4885MAPT 358/4885
US-20130158296-A1 PROCESS FOR THE SYNTHESIS OF 1-AMINO-3-HALO-4,6-DINITROBENZENE DDC, AADAT, AASDHPPT ALDH1A1 2382/4885CYP3A4 208/4885MAPT 3015/4885
US-20130204041-A1 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS WDR48, AADAC, DDX41 ALDH1A1 1701/4885CYP3A4 224/4885MAPT 284/4885

“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.