SCHEMBL14969432

SCHEMBL14969432

CC(=O)n1nc(N2CC3CC2CC3OCCN2CCCC2)c2c(-c3ccccc3)csc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL16267054 0.92 ADORA2A (0.33) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL16267043 0.82 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL14964962 0.81 ADORA2A (0.32)
SCHEMBL16294535 0.79 POLB (0.50) HTTKMT2ALMNAPOLB
SCHEMBL14969429 0.79 SMN1; SMN2 (0.34) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL14964980 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL14964940 0.76
SCHEMBL14964798 0.76 ALDH1A1 (0.46) KDM4EALDH1A1HTTKMT2APOLB
SCHEMBL14968856 0.72 CRHBP (0.33) L3MBTL1
SCHEMBL14965215 0.71 KMT2A (0.46) HTTKMT2APOLB

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 KDM4E 1338/4885SMN1; SMN2 3984/4885ALDH1A1 1174/4885

“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.