SCHEMBL2517852

SCHEMBL2517852

CCOc1cccc(Sc2cnc(N)s2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
TP53 P04637 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
DHFR P00374 2/20 0.40
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.37
MAP4K4 O95819 1/20 0.37
MEN1 O00255 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
S1PR1 P21453 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL2519933 0.85 NOTUM (0.42) NOTUMTP53CYP3A4ALDH1A1HSD17B10
SCHEMBL6772743 0.78 SMN1; SMN2 (0.43) TSHRNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL9487844 0.77 TP53 (0.57) NOTUMTP53CYP3A4ALDH1A1HSD17B10
SCHEMBL15587224 0.74 MYC (0.47) ALDH1A1SMN1; SMN2MAPTMYCWDR5
SCHEMBL28443457 0.74 SMN1; SMN2 (0.45) TP53ALDH1A1DHFRNPC1SMN1; SMN2
SCHEMBL9426921 0.71 POLB (0.51) TP53ALDH1A1HSD17B10DHFRNPC1
SCHEMBL15362379 0.69 TP53 (0.55) NOTUMTP53CYP3A4ALDH1A1NPC1
SCHEMBL9048451 0.69 MYC (0.42) CYP3A4SMN1; SMN2KDM4EMYCWDR5
SCHEMBL9098198 0.68 MYC (0.59) ALDH1A1HSD17B10SMN1; SMN2MAPTMYC
SCHEMBL5171580 0.68 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034954-B2 Calcium channel antagonists ICAGEN, INC. (US) 2011-10-11 US disclosed
EP-1968956-A2 CALCIUM CHANNEL ANTAGONISTS Icagen, Inc. (US) 2008-09-17 EP disclosed
EP-1968596-A2 CALCIUM CHANNEL ANTAGONISTS Icagen, Inc. (US) 2008-09-17 EP disclosed
US-20070197523-A1 CALCIUM CHANNEL ANTAGONISTS ICAGEN, INC. (US) 2007-08-23 US disclosed
US-20070173504-A1 CALCIUM CHANNEL ANTAGONISTS ICAGEN, INC. (US) 2007-07-26 US disclosed
WO-2007075852-A2 CALCIUM CHANNEL ANTAGONISTS ICAGEN, INC. (US) 2007-07-05 WO disclosed
WO-2007073497-A2 CALCIUM CHANNEL ANTAGONISTS ICAGEN, INC. (US) 2007-06-28 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-20070173504-A1 CALCIUM CHANNEL ANTAGONISTS CACNA1E, CACNA1H, CACNA1G NOTUM 1993/4885TP53 4365/4885CYP3A4 4717/4885

“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.