SCHEMBL12204567

SCHEMBL12204567

c1ccc(CSc2nccc(-c3ccc4c(c3)CCO4)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.57
PIK3CA P42336 1/20 0.46
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
DYRK1A Q13627 2/20 0.44
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.42
TERT O14746 1/20 0.42
LYPLAL1 Q5VWZ2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 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
SCHEMBL8136527 0.74 LYPLAL1 (0.43) GSK3BLYPLAL1KDM4E
SCHEMBL3492013 0.73 GSK3B (1.00) GSK3BTERT
SCHEMBL31248520 0.73 GSK3B (0.58) GSK3BRAB9ASMN1; SMN2NPC1TERT
SCHEMBL2615988 0.68 RAB9A (0.56) GSK3BMAPTRAB9ASMN1; SMN2DYRK1A
SCHEMBL15749928 0.67 DYRK1A (0.60) GSK3BMAPTRAB9ASMN1; SMN2DYRK1A
SCHEMBL10939821 0.67 HSD17B10 (0.56) PIK3CARAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL5695138 0.66 HSD17B10 (0.65) RAB9ASMN1; SMN2HSD17B10NPC1KDM4E
SCHEMBL4107600 0.66 DYRK1A (0.51) GSK3BMAPTRAB9ASMN1; SMN2DYRK1A
SCHEMBL23334345 0.65 PDE4A (0.58) GSK3BHSD17B10KDM4EMEN1POLB
SCHEMBL1034765 0.65 CDK1 (0.46) GSK3BMAPTRAB9ASMN1; SMN2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-9334256-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2016-05-10 US disclosed
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 US disclosed
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 US disclosed
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases NONO INC. (CA) 2014-08-07 US disclosed
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases NONO INC. (CA) 2014-08-07 US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 US 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 (3 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-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 GSK3B 2733/4885PIK3CA 3228/4885MAPT 3464/4885
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 GSK3B 2733/4885PIK3CA 3228/4885MAPT 3464/4885
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases TRPM7, TRPM8, TRPM5 GSK3B 1680/4885PIK3CA 2810/4885MAPT 1802/4885

“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.