SCHEMBL1098065

SCHEMBL1098065

O=c1[nH]c(-c2cc[c]cn2)no1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
ALDH1A1 P00352 2/20 0.41
RARB P10826 2/20 0.35
ADH5 P11766 1/20 0.35
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLA2G2A P14555 5/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
ALOX5 P09917 1/20 0.32
PARP1 P09874 1/20 0.32
RARG P13631 1/20 0.31
PLA2G10 O15496 1/20 0.30
PLA2G1B P04054 1/20 0.30
PLA2G5 P39877 1/20 0.30

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
SCHEMBL4277037 0.79 KMO (0.49) KMOALDH1A1RARB
SCHEMBL1097374 0.75 ALDH1A1 (0.53) KMOALDH1A1RARBADH5PLA2G2A
SCHEMBL196791 0.69 KDM4E (0.30)
SCHEMBL31546321 0.67 ALDH1A1 (0.51) KMOALDH1A1RARBPLA2G2APLA2G10
SCHEMBL7539758 0.67 ALDH1A1 (0.41) KMOALDH1A1RARBADH5PLA2G2A
SCHEMBL2033935 0.65 NISCH (0.42) ALDH1A1
SCHEMBL14667330 0.64 KMO (0.67) KMOALDH1A1MAPTHPGDNPSR1
SCHEMBL16277610 0.63
SCHEMBL1097483 0.63
SCHEMBL2338601 0.63 KMO (0.45) KMOALDH1A1RARBADH5NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-23 US disclosed
US-8809327-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-08-19 US disclosed
EP-2183239-B1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-22 EP disclosed
US-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS BRANUM SHAWN T (US) 2012-07-26 US disclosed
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US disclosed
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
EP-2183239-A1 SULFONAMIDES AS TRPM8 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-05-12 EP disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
WO-2009012430-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-22 WO disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (5 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-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 KMO 2972/4885ALDH1A1 3091/4885RARB 1164/4885
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 KMO 2972/4885ALDH1A1 3091/4885RARB 1164/4885
US-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 KMO 4818/4885ALDH1A1 4359/4885RARB 2634/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KMO 4827/4885ALDH1A1 4381/4885RARB 2572/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 KMO 2972/4885ALDH1A1 3091/4885RARB 1164/4885

“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.