SCHEMBL731101

SCHEMBL731101

Cc1cccc([N+](=O)[O-])c1S(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.47
GPR35 Q9HC97 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
S100A4 P26447 1/20 0.42
KCNMA1 Q12791 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
Hydrochloric Acid SCHEMBL11759847 0.98 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL668582 0.87 GPR35 (0.56) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL30131227 0.86 TSHR (0.53) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL28031898 0.85 GPR35 (0.54) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL5638935 0.84 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL10619013 0.84 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL9568264 0.82 TSHR (0.56) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL8764130 0.82 TSHR (0.56) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL30908227 0.82 TSHR (0.56) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL28104917 0.82 TSHR (0.56) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118234717-A Bicyclic heteroaromatic compounds and their use as pest control agents PI工业有限公司 2024-06-21 CN claimed
EP-2387557-B1 PROCESS FOR THE PREPARATION OF N-[5-(3-DIMETHYLAMINO-ACRYLOYL)-2-FLUORO-PHENYL]-N-METHYL-ACETAMIDE INTERQUIM SA (ES) 2013-06-19 EP claimed
WO-2010099518-A2 METHOD FOR MANUFACTURE OF 2-OXOIMIDAZOLIDINES THESIS CHEMISTRY, LLC (US) 2010-09-02 WO claimed
EP-1548069-B1 Liquid formulations of direct dyes BASF SE (DE) 2010-08-04 EP claimed
US-7331998-B2 Liquid formulations of direct dyes BASF AKTIENGESELLSCHAFT (DE) 2008-02-19 US claimed
CN-100334255-C Method for applying a phosphate covering and use of metal parts thus phospated CHEMETALL GMBH (DE) 2007-08-29 CN claimed
US-20050132510-A1 Liquid formulations of direct dyes BASF AKIENGESELLSCHAFT (DE) 2005-06-23 US claimed
CN-1196669-C Method for producing substituted nitro benzoic acids by oxidation of corresponding nitro toluenes, nitro benzyl alcohols, esters and/or ethers BAYER AG (DE) 2005-04-13 CN claimed
EP-1274672-B1 METHOD FOR PRODUCING SUBSTITUTED NITRO BENZOIC ACIDS BY OXIDATION OF CORRESPONDING NITRO TOLUENES, NITRO BENZYL ALCOHOLS, ESTERS AND/OR ETHERS BAYER CHEMICALS AG (DE) 2004-03-03 EP claimed
US-20040039227-A1 Method for producing substituted nitro benzoic acids by oxidation of corresponding nitro toluenes, nitrol benzyl alcohols, esters and/or ethers LANXESS DEUTSCHLAND GMBH (DE) 2004-02-26 US claimed
EP-1099010-B1 METHOD FOR RECOVERING PRECIOUS METALS OTB OBERFLAECHENTECHNIK BERLIN (DE) 2003-11-19 EP claimed
CN-1422243-A Method for producing substituted nitro benzoic acids by oxidation of corresponding nitro toluenes, nitro benzyl alcohols, esters and/or ethers BAYER AG (DE) 2003-06-04 CN claimed
US-6160169-A Preparation of amine salts of 4-nitrotoluene-2-sulfonic acid BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US claimed
EP-0460544-B1 Process for the preparation of sulphonated anthranilic acids BASF AG (DE) 1995-08-09 EP claimed
EP-0380067-B1 IMPROVED METHOD OF LUBRICATING IRON AND STEEL BEFORE COLD WORKING HENKEL CORPORATION (US) 1993-05-26 EP claimed
US-5196573-A Process for the preparation of sulfonated anthranilic acids BASF AKTIENGESELLSCHAFT (DE) 1993-03-23 US claimed
EP-0380067-A1 Improved method of lubricating iron and steel before cold working HENKEL CORPORATION (US) 1990-08-01 EP claimed
US-4680146-A Process for the preparation of 4,4'-dinitrostilbene-2,2'-disulphonic acid salts BAYER AKTIENGESELLSCHAFT (DE) 1987-07-14 US claimed
CN-118234717-A Bicyclic heteroaromatic compounds and their use as pest control agents PI工业有限公司 2024-06-21 CN disclosed
US-3970505-A POLYMERIZABLE ACRYLATE, THIOUREA, CURES THROUGH LARGE GAPS LOCTITE CORPORATION (US) 1976-07-20 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-20040039227-A1 Method for producing substituted nitro benzoic acids by oxidation of corresponding nitro toluenes, nitrol benzyl alcohols, esters and/or ethers NOS2, NOS1, CYP2E1 TSHR 2883/4885SMN1; SMN2 2523/4885HSD17B10 355/4885

“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.