SCHEMBL496363

SCHEMBL496363

O=[N+]([O-])c1cc(Cl)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
GPR35 Q9HC97 6/20 0.66
HSD17B10 Q99714 2/20 0.52
TSHR P16473 5/20 0.50
TDP1 Q9NUW8 5/20 0.48
HPGD P15428 3/20 0.48
MAPK1 P28482 3/20 0.48
ALOX15 P16050 2/20 0.48
HIF1A Q16665 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 2/20 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
SCHEMBL31264960 1.00 ALDH1A1 (0.75) ALDH1A1GPR35HSD17B10TSHRTDP1
SCHEMBL10818750 0.89 ALDH1A1 (0.62) ALDH1A1GPR35HSD17B10TSHRTDP1
SCHEMBL213849 0.89 ALDH1A1 (0.62) ALDH1A1GPR35HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL10582751 0.86 ALDH1A1 (0.60) ALDH1A1GPR35HSD17B10TSHRTDP1
Ammonia Solution, Strong SCHEMBL11695961 0.86 ALDH1A1 (0.60) ALDH1A1GPR35HSD17B10TSHRTDP1
SCHEMBL635165 0.86 ALDH1A1 (1.00) ALDH1A1GPR35HSD17B10TSHRTDP1
SCHEMBL11793608 0.81 GPR35 (0.63) ALDH1A1GPR35HSD17B10TSHRTDP1
SCHEMBL6186068 0.80 ALDH1A1 (0.58) ALDH1A1GPR35TSHRTDP1HPGD
SCHEMBL9452637 0.79 ALDH1A1 (0.61) ALDH1A1GPR35HSD17B10TSHRTDP1
SCHEMBL9859482 0.79 ALDH1A1 (0.63) ALDH1A1GPR35HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995017374-A1 A PROCESS FOR THE PREPARATION OF DIAMINORESORCINOL THE DOW CHEMICAL COMPANY (US) 1995-06-29 WO claimed
US-5399768-A Process for the preparation of diaminoresorcinol THE DOW CHEMICAL COMPANY (US) 1995-03-21 US claimed
CN-111116372-B 3,4 dichloronitrobenzene full-continuous flow synthesis process under action of catalyst 浙江本立科技股份有限公司 2021-05-11 CN disclosed
CN-211921383-U 3, 4-dichloronitrobenzene integrated full-continuous flow reaction system 浙江本立科技股份有限公司 2020-11-13 CN disclosed
CN-111116372-A 3,4 dichloronitrobenzene full-continuous flow synthesis process under action of catalyst 浙江本立科技股份有限公司 2020-05-08 CN disclosed
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed
WO-1995017374-A1 A PROCESS FOR THE PREPARATION OF DIAMINORESORCINOL THE DOW CHEMICAL COMPANY (US) 1995-06-29 WO disclosed
WO-1995017374-A1 A PROCESS FOR THE PREPARATION OF DIAMINORESORCINOL THE DOW CHEMICAL COMPANY (US) 1995-06-29 WO disclosed
EP-0124084-B1 PROCESS FOR THE PREPARATION OF 6-CHLORO-2,4-DINITROPHENOL HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-07 EP disclosed
US-4613698-A Process for the preparation of 6-chloro-2,4-dinitroaniline HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-23 US disclosed
US-4552970-A Solvated salts of dinitrophenylcyanamides, and a process for the preparation thereof HOECHST AKTIENGESELLSCHAFT (DE) 1985-11-12 US disclosed
EP-0154239-A2 Process for the preparation of 6-chloro-2,4-nitroaniline HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-11 EP disclosed
US-4540832-A Process for the preparation of 6-chloro-2,4-dinitrophenol HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
EP-0124084-A2 Process for the preparation of 6-chloro-2,4-dinitrophenol HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-07 EP disclosed
EP-0053714-B1 SOLVATED SALTS OF 2,4-DINITROPHENYL CYANAMIDES, PROCESS FOR PREPARING THEM AND THEIR APPLICATION HOECHST AKTIENGESELLSCHAFT (DE) 1984-08-29 EP disclosed
EP-0053714-A1 Solvated salts of 2,4-dinitrophenyl cyanamides, process for preparing them and their application HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-16 EP disclosed
US-4082538-A HERBICIDES FOR MONOCOTYLEDONS AND DICOTYLEDONS ROHM AND HAAS COMPANY (US) 1978-04-04 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 ALDH1A1 1210/4885GPR35 253/4885HSD17B10 2880/4885

“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.