SCHEMBL10000535

SCHEMBL10000535

c1ccc2sc(-c3cc4sc5c6ccccc6sc5c4s3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.45
NQO2 P16083 1/20 0.45
APP P05067 2/20 0.44
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
STK17B O94768 1/20 0.38
CAMKK1 Q8N5S9 1/20 0.38
AURKB Q96GD4 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
STK17A Q9UEE5 1/20 0.38
GPR3 P46089 1/20 0.38
MAPT P10636 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL10000533 0.89 GPR3 (0.46) GPR3MAPT
SCHEMBL10000529 0.79 CYP1A1 (0.44) GPR3MAPTCYP1A1CYP1B1ADORA2A
SCHEMBL2149612 0.78 APP (0.59) NQO1NQO2APPHSD17B1HSD17B2
SCHEMBL23046395 0.78 MAPT (0.42) PIM2GPR3MAPT
SCHEMBL845603 0.78 APP (0.63) NQO1NQO2APPHSD17B1HSD17B2
SCHEMBL29732980 0.78 APP (0.63) NQO1NQO2APPHSD17B1HSD17B2
SCHEMBL20662900 0.77 CYP1A1 (0.42) APPGPR3MAPTCYP1A1CYP1B1
SCHEMBL23555678 0.76 APP (0.55) NQO1NQO2APPHSD17B1HSD17B2
SCHEMBL23555679 0.76 APP (0.55) NQO1NQO2APPHSD17B1HSD17B2
SCHEMBL20910613 0.76 APP (0.46) NQO1NQO2APPHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350256-B2 Organic semiconductor compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-01-08 US disclosed
US-8350256-B2 Organic semiconductor compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-01-08 US disclosed
US-20120012819-A1 ORGANIC SEMICONDUCTOR COMPOUNDS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-19 US disclosed
US-20120012819-A1 ORGANIC SEMICONDUCTOR COMPOUNDS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-19 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-20120012819-A1 ORGANIC SEMICONDUCTOR COMPOUNDS TST, TPST2, BHMT2 NQO1 1444/4885NQO2 1465/4885APP 4515/4885

“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.