SCHEMBL2855643

SCHEMBL2855643

Cc1ccc(S(=O)(=O)O)cc1.Cc1csc(-c2ccc3[nH]nc(C(=O)O[C@@H]4CN5CCC4CC5)c3c2)n1

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTMT1 Q9BV86 18/20 0.49
▸ UGCG Q16739 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HAO1 Q9UJM8 1/20 0.39

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
SCHEMBL2862222 1.00 NTMT1 (0.49) NTMT1UGCGCYP1A2CYP2D6HAO1
SCHEMBL2853360 0.94 NTMT1 (0.49) NTMT1UGCGCYP1A2CYP2D6
SCHEMBL2853356 0.94 NTMT1 (0.49) NTMT1UGCGCYP1A2CYP2D6
SCHEMBL2856674 0.92 NTMT1 (0.47) NTMT1UGCGHAO1
SCHEMBL2854171 0.92 NTMT1 (0.47) NTMT1UGCGHAO1
SCHEMBL2851660 0.92 NTMT1 (0.47) NTMT1UGCGHAO1
Formic Acid SCHEMBL2855542 0.89 NTMT1 (0.45) NTMT1UGCGHAO1
Formic Acid SCHEMBL2855811 0.89 NTMT1 (0.45) NTMT1UGCGHAO1
SCHEMBL2860642 0.87 P2RX3 (0.41) NTMT1CYP1A2CYP2D6
SCHEMBL2857814 0.87 P2RX3 (0.41) NTMT1CYP1A2CYP2D6

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-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 — — EP claimed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 — — US claimed
WO-2007136640-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLE-1,3-DIONE CELGENE CORPORATION (US) 2007-11-29 — — WO claimed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 — — US claimed
EP-3601255-A1 PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-05 — — EP disclosed
WO-2018175449-A1 PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2018-09-27 — — WO disclosed
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF NGUYEN TRUC MINH 2010-01-21 — — US disclosed
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 — — EP disclosed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 — — US disclosed
EP-1866346-A1 AZO COMPOUNDS FOR POLYPROPYLENE DEGRADATION Ciba Specialty Chemicals Holding Inc. (CH) 2007-12-19 — — EP disclosed
EP-1861485-A1 ANTIWEAR LUBRICANT COMPOSITIONS FOR USE IN COMBUSTION ENGINES Ciba Specialty Chemicals Holding Inc. (CH) 2007-12-05 — — EP disclosed
EP-1771068-A1 SUBSTITUTED 1H-PYRROLE-2,5-DIONES Bayer CropScience Aktiengesellschaft (DE) 2007-04-11 — — EP disclosed
WO-2006100188-A1 ANTIWEAR LUBRICANT COMPOSITIONS FOR USE IN COMBUSTION ENGINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-09-28 — — WO disclosed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 — — US disclosed
WO-2006007998-A1 SUBSTITUTED 1H-PYRROLE-2,5-DIONES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-01-26 — — WO disclosed
EP-1320521-A1 2-THIOCARBAMOYLOXY AND 2-CARBAMOYLOXY DERIVATIVES OF CYCLOPENTYL-HEPTAN(EN)OIC ACID AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2003-06-25 — — EP disclosed
WO-2002026704-A1 2-THIOCARBAMOYLOXY AND 2-CARBAMOYLOXY DERIVATIVES OF CYCLOPENTYL-HEPTAN(ENE)OIC ACID AS THERAPEUTIC AGENTS ALLERGAN INC. (US) 2002-04-04 — — WO disclosed
EP-0851899-A1 BENZOTHIOPHENE-2-CARBOXAMIDE-S,S-DIOXIDES FOR USE IN ANTI-FOULING APPLICATIONS BAYER AG (DE) 1998-07-08 — — EP disclosed
WO-1997011131-A1 BENZOTHIOPHENE-2-CARBOXAMIDE-S,S-DIOXIDES FOR USE IN ANTI-FOULING APPLICATIONS BAYER AKTIENGESELLSCHAFT (DE) 1997-03-27 — — WO disclosed
EP-0225472-A1 Substituted pyrazolin-5-ones BAYER AG (DE) 1987-06-16 — — 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-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 NTMT1 927/4885UGCG 2056/4885CYP1A2 2614/4885
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA6 NTMT1 927/4885UGCG 2056/4885CYP1A2 2614/4885

“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.

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