SCHEMBL2947398

SCHEMBL2947398

COc1ccc2ncc(F)c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.57
KCNQ1 P51787 1/20 0.55
CACNA1C Q13936 1/20 0.55

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
SCHEMBL4066048 0.91 KCNH2 (0.57) KCNH2KCNQ1CACNA1C
SCHEMBL2954037 0.89 KCNH2 (0.57) KCNH2KCNQ1CACNA1C
SCHEMBL2952672 0.88 KCNH2 (0.50) KCNH2KCNQ1CACNA1C
SCHEMBL4071573 0.87 KCNH2 (0.63) KCNH2KCNQ1CACNA1C
SCHEMBL2954872 0.86 KCNH2 (0.65) KCNH2
SCHEMBL2946555 0.86 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
SCHEMBL4067925 0.82 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
SCHEMBL4065915 0.80 KCNH2 (0.52) KCNH2KCNQ1CACNA1C
SCHEMBL4074247 0.80 KCNH2 (0.57) KCNH2KCNQ1CACNA1C
SCHEMBL4067923 0.79 KCNH2 (0.57) KCNH2KCNQ1CACNA1C

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-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-7758849-B2 Hair wax products containing silicone wax, silicone-free wax and oils WELLA AG (DE) 2010-07-20 US disclosed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-20030118538-A1 Sprayable hair gels WELLA AKTIENGESELLSCHAFT (DE) 2003-06-26 US disclosed
US-20030049224-A1 Hair treatment gels containing itaconic acid monoester/acrylate copolymer Wella GmbH (DE) 2003-03-13 US disclosed
US-6475475-B2 A BLEND OF AT LEAST ONE TERPOLYMER OF VINYL PYRROLIDONE, VINYL CAPROLACTAM AND A BASIC ACRYLAMIDE MONOMER, AND AT LEAST ONE POLYMER HAVING ANIONIC OR ANIONIZABLE GROUPS; HAIR FIXING; MORE ELASTIC FILM; SOFTNESS WELLA AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
US-20020076387-A1 Solid, form-stable gels for hair treatment WELLA AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
US-6372203-B1 Hair treatment compositions with polymers made from unsaturated saccharides, unsaturated saccharic acids or their derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-04-16 US disclosed
US-6368581-B1 MIXTURE OF POLYOXYALKYLENE GLYCOL GLYCERIDE AND SURFACTANT WELLA AKTIENGESELLSCHAFT (DE) 2002-04-09 US disclosed
US-6358493-B1 Methods of performing cosmetic treatments with gasified solid particles and instant gel preparations containing the gasified solid particles WELLA AKTIENGESELLSCHAFT (DE) 2002-03-19 US disclosed
US-6328950-B1 FOR TEMPORARILY COLORING HAIR WELLA AKTIENGESELLSCHAFT (DE) 2001-12-11 US disclosed
US-20010026791-A1 Gel composition and thickened hair treatment composition Wella Aktiengessellschaft (DE) 2001-10-04 US disclosed
US-6264929-B1 COMPLEX WELLA AKTIENGESELLSCHAFT (DE) 2001-07-24 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-20090181955-A1 Antibacterial Agents NQO2, NQO1, NRDC KCNH2 3002/4885KCNQ1 1726/4885CACNA1C 4458/4885
US-20020076387-A1 Solid, form-stable gels for hair treatment KCNN1, KCNN2, KCNN3 KCNH2 18/4885KCNQ1 213/4885CACNA1C 14/4885

“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.