SCHEMBL2928368

SCHEMBL2928368

COc1ccc(OC)c(C(Br)C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
CYP2D6 P10635 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ACHE P22303 1/20 0.51
ADRA1A P35348 3/20 0.50
ADRA2A P08913 2/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 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
SCHEMBL28963070 1.00 HTT (0.58) HTTCYP2D6CA1CA2ACHE
SCHEMBL2465466 0.86 ALDH1A1 (0.51) HTTCYP2D6CA1CA2ACHE
SCHEMBL3610280 0.84 HTT (0.59) HTTCYP2D6CA1CA2ACHE
SCHEMBL3411434 0.83 ACHE (0.47) HTTACHEMEN1KMT2AMAPK1
SCHEMBL3641536 0.83 HTT (0.40) HTTMEN1KMT2AALDH1A1GAA
SCHEMBL4981765 0.82 HTT (0.66) HTTCYP2D6CA1CA2ACHE
SCHEMBL3637979 0.81 ALDH1A1 (0.40) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL3417280 0.81 ERN1 (0.40) HTTMEN1KMT2AALDH1A1GAA
SCHEMBL20551547 0.81 HTT (0.42) HTTCYP2D6CA1CA2ACHE
SCHEMBL23674808 0.81 ALDH1A1 (0.41) HTTCA1CA2ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970204-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC Foundation For Research Development (US) 2016-01-20 EP disclosed
WO-2014160181-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-10-02 WO disclosed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
WO-2012164572-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-06 WO disclosed
EP-2265606-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 WO disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 WO disclosed
EP-1465860-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF ( ) 2-AMINO-N-[2,(S,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL] ACETAMIDE MONOHYDROCHLORIDE Sanmar Speciality Chemicals Ltd (IN) 2004-10-13 EP disclosed
EP-1465860-A4 AN IMPROVED PROCESS FOR THE SYNTHESIS OF ( ) 2-AMINO-N-[2,(S,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL] ACETAMIDE MONOHYDROCHLORIDE SANMAR SPECIALITY CHEMICALS LT (IN) 2004-10-13 EP disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
WO-2004018409-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF (±) 2-AMINO-N-[2,(S,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL] ACETAMIDE MONOHYDROCHLORIDE SANMAR SPECIALITY CHEMICALS LTD (IN) 2004-03-04 WO disclosed
EP-0099329-A1 Dithio compounds, pharmaceutical preparations containing them and their use Zyma SA (CH) 1984-01-25 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 (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-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 HTT 3858/4885CYP2D6 881/4885CA1 1877/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 HTT 3858/4885CYP2D6 881/4885CA1 1877/4885

“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.