SCHEMBL14968908

SCHEMBL14968908

COC(=O)c1sc2[nH]nc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14968807 0.93 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL14968845 0.92 TRPV4 (0.36) TRPV4
SCHEMBL14968825 0.92 TRPV4 (0.36) TRPV4
SCHEMBL14968806 0.91
SCHEMBL14965144 0.85 HRH3 (0.37)
SCHEMBL14964983 0.84
SCHEMBL14968820 0.83 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14968760 0.78 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL14968813 0.78 KDM4E (0.37) KDM4E
SCHEMBL14965482 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357662-A1 THIENO (2,3 - C) PYRAZOLES FOR USE AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2014-12-04 US disclosed
EP-2780344-A1 THIENO [2, 3 - C]PYRAZOLES FOR USE AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
WO-2013072693-A1 THIENO [2, 3 - C] PYRAZOLES FOR USE AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO 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-20140357662-A1 THIENO (2,3 - C) PYRAZOLES FOR USE AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNK3, KCNJ1 TRPV4 148/4885GSK3B 934/4885KDM4E 1338/4885

“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.