SCHEMBL2006591

SCHEMBL2006591

NCc1ccc(CN)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 10/20 0.52
PNMT P11086 4/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
TAAR1 Q96RJ0 2/20 0.45
LOX P28300 1/20 0.43
LOXL3 P58215 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CYP3A4 P08684 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
DPP4 P27487 1/20 0.39
IDO1 P14902 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
SCHEMBL26325920 0.85 CSNK2A1 (0.49) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL17013472 0.85 CSNK2A1 (0.52) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL15047147 0.85 CSNK2A1 (0.47) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL5138176 0.85 CSNK2A1 (0.62) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL8847353 0.81 PNMT (0.50) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL29349576 0.80 PNMT (0.67) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL112200 0.80 PNMT (0.67) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL27755699 0.80 PNMT (0.41) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL27806808 0.78 PNMT (0.44) CSNK2A1PNMTTAAR1
SCHEMBL4841378 0.78 CA2 (0.61)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed
US-9410951-B2 Method for producing substrate for making microarray SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
US-9410951-B2 Method for producing substrate for making microarray SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
CN-103226299-B Electrophotographic image forming toner and developer RICOH CO., LTD. (JP) 2015-11-18 CN disclosed
CN-103309186-B Toner, developer, handle box and image forming apparatus RICOH CO., LTD. (JP) 2015-09-30 CN disclosed
US-7964633-B2 such as N,N'-[hexane-1,6-diylbis(iminocarbonyl)]bis(3-chlorobenzenesulfonamide), used as Fructose-1,6-bisphosphatase inhibitors; metabolic disorders such as diabetes HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
EP-2081889-B1 SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
US-20100055337-A1 Method for producing substrate for making microarray SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100055337-A1 Method for producing substrate for making microarray SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2081889-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-29 EP disclosed
US-20080085928-A1 Sulfonamide derivatives HOFFMANN-LA ROCHE INC. 2008-04-10 US disclosed
WO-2008037628-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
EP-0007632-B1 AROMATIC POLYAMIDE COMPOSITION TEIJIN LIMITED (JP) 1983-03-16 EP disclosed
EP-0007632-A1 Aromatic polyamide composition TEIJIN LIMITED (JP) 1980-02-06 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 (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-20080085928-A1 Sulfonamide derivatives SULT2A1, SULT1A1, SULT1E1 CSNK2A1 939/4885PNMT 3569/4885CSNK2A2 938/4885

“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.