SCHEMBL2149703

SCHEMBL2149703

Ic1cc(-c2cc3ccccc3s2)c(I)cc1-c1cc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
NQO1 P15559 1/20 0.44
NQO2 P16083 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2A6 P11509 4/20 0.41
ASIC3 Q9UHC3 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MGLL Q99685 1/20 0.41
ERN1 O75460 2/20 0.41
CYP19A1 P11511 1/20 0.41
PIK3R1 P27986 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
SCHEMBL27989389 0.83 APP (0.57) APPHSD17B1HSD17B2CA2CA1
SCHEMBL19133572 0.83 APP (0.57) APPHSD17B1HSD17B2CA2CA1
SCHEMBL12854022 0.81 APP (0.55) APPHSD17B1HSD17B2CA2CA1
SCHEMBL29732980 0.80 APP (0.63) APPHSD17B1HSD17B2CA2CA1
SCHEMBL845603 0.80 APP (0.63) APPHSD17B1HSD17B2CA2CA1
SCHEMBL2149612 0.76 APP (0.59) APPHSD17B1HSD17B2CA2CA1
SCHEMBL2150858 0.76 APP (0.50) APPHSD17B1HSD17B2CA2CA1
SCHEMBL2150806 0.76 PIK3R1 (0.57) APPHSD17B1HSD17B2CA2CA1
SCHEMBL16600441 0.76 APP (0.59) APPHSD17B1HSD17B2CA2CA1
SCHEMBL19497669 0.76 NQO1 (0.51) APPHSD17B1HSD17B2CA2CA1

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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
EP-2341051-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2011-07-06 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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SCLY, MSRB3, SOD1 APP 4443/4885HSD17B1 868/4885HSD17B2 562/4885

“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.