SCHEMBL2235526

SCHEMBL2235526

C=Cc1cccc2c1CCC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPT P10636 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
SCHEMBL97178 0.84 NPC1 (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL725215 0.84 AHR (0.44) HTR1AOPRK1
SCHEMBL29612197 0.84 AHR (0.44) HTR1AOPRK1
SCHEMBL3621910 0.76 PARP1 (0.43) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3621915 0.76 PARP1 (0.43) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL426989 0.76 NPC1 (0.42) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3593984 0.74 NPC1 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5439183 0.74 NPC1 (0.38) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2234486 0.73 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL17498074 0.73 NOTUM (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 NPC1 3383/4885MAPK13 997/4885MAPK12 1841/4885

“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.