SCHEMBL2210296

SCHEMBL2210296

Cc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.61
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 2/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 5/20 0.46
MAPK1 P28482 3/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL29653777 1.00 GPR35 (0.61) GPR35ALDH1A1HSD17B10TSHRTDP1
SCHEMBL1751440 0.87 ALDH1A1 (0.67) GPR35ALDH1A1HSD17B10TSHRTDP1
Trinitrotoluene SCHEMBL20676 0.85 ALDH1A1 (0.61) GPR35ALDH1A1HSD17B10TSHRTDP1
Trinitrotoluene SCHEMBL891182 0.85 ALDH1A1 (0.61) GPR35ALDH1A1HSD17B10TSHRTDP1
Trinitrotoluene SCHEMBL14966251 0.83 ALDH1A1 (0.59) GPR35ALDH1A1HSD17B10TSHRTDP1
Trinitrotoluene SCHEMBL9101074 0.83 ALDH1A1 (0.59) GPR35ALDH1A1HSD17B10TSHRTDP1
Trinitrotoluene SCHEMBL9101080 0.83 ALDH1A1 (0.59) GPR35ALDH1A1HSD17B10TSHRTDP1
Trinitrotoluene SCHEMBL14966503 0.83 ALDH1A1 (0.59) GPR35ALDH1A1HSD17B10TSHRTDP1
Trinitrotoluene SCHEMBL1272395 0.83 ALDH1A1 (0.59) GPR35ALDH1A1HSD17B10TSHRTDP1
Trinitrotoluene SCHEMBL2566651 0.83 ALDH1A1 (0.59) GPR35ALDH1A1HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051970-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2024-02-15 US disclosed
CN-117321048-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-12-29 CN disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
EP-2167496-B1 AZO DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2014-09-24 EP disclosed
US-8231691-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2012-07-31 US disclosed
US-8226758-B2 Disperse dyes mixtures DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-24 US disclosed
US-8226758-B2 Disperse dyes mixtures DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-24 US disclosed
US-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 US disclosed
CN-101296920-A Imidazole derivatives as functionally selective alpha 2C adrenoreceptor agonists SCHERING CORP AND PHARMACOPEIA (US) 2008-10-29 CN disclosed
WO-2008100457-A2 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
EP-1945626-A1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-07-23 EP disclosed
WO-2008074719-A1 DISPERSE DYES MIXTURES DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-06-26 WO disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
WO-2007024944-A1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 WO disclosed
US-5969155-A Conversion of trinitrotoluene into high value compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1999-10-19 US disclosed
EP-0045423-B1 PROCESS FOR THE ALPHA-HALOGENATION OF POSSIBLY SUBSTITUTED METHYL AROMATICS BAYER AG (DE) 1984-02-22 EP disclosed
EP-0045423-A1 Process for the alpha-halogenation of possibly substituted methyl aromatics BAYER AG (DE) 1982-02-10 EP 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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 GPR35 592/4885ALDH1A1 4633/4885HSD17B10 4333/4885
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A GPR35 185/4885ALDH1A1 805/4885HSD17B10 1797/4885
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A GPR35 185/4885ALDH1A1 805/4885HSD17B10 1797/4885
US-20240051970-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 GPR35 522/4885ALDH1A1 4654/4885HSD17B10 4346/4885

“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.