SCHEMBL3160944

SCHEMBL3160944

CCCC(=O)Nc1cscn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.47
RAB9A P51151 4/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 2/20 0.44
ADORA2A P29274 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA3 P0DMS8 3/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAP3K5 Q99683 1/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2514578 0.86 ADORA3 (0.44) ADORA1RAB9ATP53NPC1ADORA2A
SCHEMBL11354763 0.79 ALDH1A1 (0.45) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL27350875 0.74 MAPK1 (0.55) MAPTALDH1A1MAP3K5MAPK1L3MBTL1
SCHEMBL164471 0.74
SCHEMBL11348714 0.71 CCNE1 (0.44) ADORA1RAB9ATP53NPC1ADORA2A
SCHEMBL21743426 0.71 L3MBTL1 (0.44) ADORA1RAB9ATP53NPC1CYP1A2
SCHEMBL11353492 0.71 CYP1A2 (0.49) ADORA1RAB9ATP53NPC1ADORA2A
SCHEMBL13134173 0.70 RXFP1 (0.38) RAB9ANPC1MAPTGAAALDH1A1
SCHEMBL27494779 0.70 GAA (0.57) RAB9ATP53NPC1MAPTSMN1; SMN2
SCHEMBL821743 0.69 SMN1; SMN2 (0.61) ADORA1RAB9ATP53NPC1ADORA2A

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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
US-5389660-A Hypotensive agents MERCK & CO., INC. (US) 1995-02-14 US disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
US-5164407-A Hypotensive agents MERCK & CO., INC. (US) 1992-11-17 US disclosed
US-4249012-A ANTISECRETORY ANTIULCER AGENTS JOHN WYETH & BROTHER LTD. (GB) 1981-02-03 US disclosed
US-4134984-A AMIDO-SUBSTITUTED, ANTISECRETORY, ANTIULCER JOHN WYETH & BROTHER LIMITED (GB) 1979-01-16 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 (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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S ADORA1 213/4885RAB9A 997/4885TP53 2391/4885

“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.