SCHEMBL14964798

SCHEMBL14964798

CC(=O)n1nc(N2CCCC(COCCN3CCCC3)C2)c2c(-c3ccccc3)csc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14964980 0.96 ALDH1A1 (0.41) ALDH1A1
SCHEMBL14964940 0.91
SCHEMBL14964922 0.80 SMN1; SMN2 (0.41)
SCHEMBL14964968 0.79 SMN1; SMN2 (0.44)
SCHEMBL16266967 0.78 ALDH1A1 (0.48) ALDH1A1POLBHTTKMT2A
SCHEMBL16267043 0.77 KDM4E (0.38) ALDH1A1HTTKMT2AKDM4E
SCHEMBL14969432 0.76 KDM4E (0.36) ALDH1A1POLBHTTKMT2AKDM4E
SCHEMBL14964870 0.75 CRHBP (0.44)
SCHEMBL14965248 0.74 POLB (0.64) POLBHTTKMT2A
SCHEMBL14969008 0.74 ALDH1A1 (0.43) ALDH1A1

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 ALDH1A1 1174/4885POLB 4658/4885HTT 2254/4885

“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.