SCHEMBL3081516

SCHEMBL3081516

O=[N+]([O-])c1cccc(C(Cl)(Cl)Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 6/20 0.57
TDP1 Q9NUW8 1/20 0.57
PTPRC P08575 1/20 0.54
ACHE P22303 1/20 0.52
ALOX15 P16050 1/20 0.52
HSP90AA1 P07900 1/20 0.50
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.47
NFE2L2 Q16236 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
FBP1 P09467 1/20 0.45

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
SCHEMBL10907252 0.85 TSHR (0.57) TSHRLMNAALDH1A1TDP1PTPRC
SCHEMBL11214966 0.85 PTPRC (0.59) TSHRLMNAALDH1A1TDP1PTPRC
SCHEMBL11655279 0.83 TSHR (0.55) TSHRLMNAALDH1A1TDP1PTPRC
SCHEMBL11726736 0.83 TSHR (0.55) TSHRLMNAALDH1A1TDP1PTPRC
SCHEMBL10949253 0.82 TSHR (0.53) TSHRLMNAALDH1A1TDP1PTPRC
SCHEMBL11705641 0.82 PTPRC (0.56) TSHRLMNAALDH1A1TDP1PTPRC
SCHEMBL11706327 0.82 TSHR (0.53) TSHRLMNAALDH1A1TDP1PTPRC
SCHEMBL4457412 0.82 TSHR (0.64) TSHRLMNAALDH1A1TDP1PTPRC
SCHEMBL11691192 0.81 TSHR (0.57) TSHRLMNAALDH1A1TDP1PTPRC
Dinitrophenylene SCHEMBL27624202 0.81 TSHR (0.85) TSHRLMNAALDH1A1TDP1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120310010-A1 Method for producing sulfonamides BASF SE (DE) 2012-12-06 US claimed
US-20100228054-A1 Method for Producing Sulfonamides BASF SE (DE) 2010-09-09 US claimed
EP-1957443-A2 METHOD FOR PRODUCING SULFONAMIDES BASF SE (DE) 2008-08-20 EP claimed
WO-2007063028-A2 METHOD FOR PRODUCING SULFONAMIDES BASF SE (DE) 2007-06-07 WO claimed
US-4582935-A REACTING META-NITROBENZOTRICHLORIDE WITH HYDROGEN FLUORIDE IN PRESENCE OF AMMONIUM IONS AND METAL CATALYST OLIN CORPORATION (US) 1986-04-15 US claimed
CN-103182165-B Golf DUNLOP SPORTS CO., LTD. (JP) 2015-10-28 CN disclosed
CN-102989132-B Golf ball DUNLOP SPORTS CO LTD 2015-06-10 CN disclosed
US-8912319-B2 Synthesis of 2′-deoxy-2′-[18F]fluoro-5-methyl-1-B-D-arabinofuranosyluracil (18F-FMAU) UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-12-16 US disclosed
EP-2784055-A1 Fluoroform synthesis and uses thereof in the preparation of trifluoromethylated compounds Institut National des Sciences Appliquées de Rouen (INSA) (FR) 2014-10-01 EP disclosed
CN-103182165-A Golf ball DUNLOP SPORTS CO LTD 2013-07-03 CN disclosed
CN-102989132-A Golf ball DUNLOP SPORTS CO LTD 2013-03-27 CN disclosed
US-20120310010-A1 Method for producing sulfonamides BASF SE (DE) 2012-12-06 US disclosed
US-4582935-A REACTING META-NITROBENZOTRICHLORIDE WITH HYDROGEN FLUORIDE IN PRESENCE OF AMMONIUM IONS AND METAL CATALYST OLIN CORPORATION (US) 1986-04-15 US disclosed
US-4453012-A REACTION OF A HALO OR TRIHALOMETHYL BENZENE WITH A TRIHALOMETHYLATED ALIPHATIC OR AROMATIC COMPOUND RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-06-05 US disclosed
US-4438043-A Process for preparation of di- or trifluoromethoxyphenyl ketones or di- or trifluoromethylthiophenyl ketones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
EP-0092628-A1 Process for the preparation of phenyl ketones starting from halogen or trihalogen methyl benzenes and aliphatic or aromatic trihalogen-methyl compounds RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-11-02 EP disclosed
EP-0092627-A1 Process for the preparation of di- or trifluoromethoxyphenyl ketones or of di- or trifluoromethylthiophenyl ketones RHONE-POULENC CHIMIE (FR) 1983-11-02 EP disclosed
US-4393257-A NONCATLYTIC REACTION OF CORRESPONDING BENZOTRICHLORIDE WITH HYDROGEN FLUORIDE DAIKIN KOGYO CO., LTD. (JP) 1983-07-12 US disclosed
US-4163753-A FROM AN ALIPHATIC ACID ANHYDRIDE AND A TRICHLOROMETHYL AROMATIC COMPOUND Diaz Chemical Corporation (US) 1979-08-07 US disclosed
US-4046656-A Photochlorination process for methyl aromatic compounds THE DOW CHEMICAL COMPANY (US) 1977-09-06 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 (2 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-20100228054-A1 Method for Producing Sulfonamides STS, MSRB3, SQOR TSHR 2971/4885LMNA 2425/4885ALDH1A1 1345/4885
US-20120310010-A1 Method for producing sulfonamides MSRB3, STS, TST TSHR 3116/4885LMNA 2543/4885ALDH1A1 2610/4885

“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.