SCHEMBL2519933

SCHEMBL2519933

CCOc1cccc(Sc2cnc(Br)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
S1PR1 P21453 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DHFR P00374 1/20 0.35
PSMB8 P28062 1/20 0.35

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
SCHEMBL2517852 0.85 NOTUM (0.48) NOTUMTP53CYP3A4DDB1CRBN
SCHEMBL9487844 0.78 TP53 (0.57) NOTUMTP53CYP3A4DDB1CRBN
SCHEMBL15362379 0.70 TP53 (0.55) NOTUMTP53CYP3A4DDB1CRBN
SCHEMBL23183158 0.69 TP53 (0.53) NOTUMTP53CYP3A4DDB1CRBN
SCHEMBL4909473 0.67 TP53 (0.52) NOTUMTP53CYP3A4DDB1CRBN
1,3-Diethoxybenzene SCHEMBL1100167 0.67 TP53 (0.71) TP53CYP3A4ALDH1A1TSHRKMT2A
SCHEMBL1203917 0.66 MAOB (0.60) TP53CYP3A4ALDH1A1KMT2AMAOB
SCHEMBL19255495 0.66 MAPT (0.45) ALDH1A1KMT2AMAPTSMN1; SMN2GABRA1
SCHEMBL12475607 0.66 MAPK1 (0.46) NOTUMTP53CYP3A4S1PR1ALDH1A1
SCHEMBL9854197 0.65 KMT2A (0.53) TP53CYP3A4DDB1CRBNTSHR

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.