SCHEMBL29732980

SCHEMBL29732980

c1ccc2sc(-c3cc4ccccc4s3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.63
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55
CA9 Q16790 4/20 0.53
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
NQO1 P15559 1/20 0.53
NQO2 P16083 1/20 0.53
CYP2A6 P11509 4/20 0.52
ASIC3 Q9UHC3 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
MGLL Q99685 1/20 0.52
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
BCL2L1 Q07817 1/20 0.50
ERN1 O75460 1/20 0.49
CYP19A1 P11511 1/20 0.49

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
SCHEMBL845603 1.00 APP (0.63) APPHSD17B1HSD17B2CA9CA2
SCHEMBL2149612 0.95 APP (0.59) APPHSD17B1HSD17B2CA9CA2
SCHEMBL5148513 0.93 APP (0.57) APPHSD17B1HSD17B2CA9CA2
SCHEMBL27651550 0.93 APP (0.57) APPHSD17B1HSD17B2CA9CA2
SCHEMBL2150464 0.93 APP (0.57) APPHSD17B1HSD17B2CA9CA2
SCHEMBL32677328 0.87 APP (0.81) APPHSD17B1HSD17B2CA9CA2
SCHEMBL27989389 0.87 APP (0.57) APPHSD17B1HSD17B2CA9CA2
SCHEMBL27159530 0.87 APP (0.81) APPHSD17B1HSD17B2CA9CA2
SCHEMBL19133572 0.87 APP (0.57) APPHSD17B1HSD17B2CA9CA2
SCHEMBL12854022 0.85 APP (0.55) APPHSD17B1HSD17B2CA9CA2

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-20240383870-A1 HETEROCYCLIC ALDEHYDE TRAPPING COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2024-11-21 US disclosed
US-20240116965-A1 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2024-04-11 US disclosed
EP-4267591-A2 ORGANOMETALLIC COMPOUNDS Umicore AG & Co. KG (DE) 2023-11-01 EP disclosed
WO-2022136049-A2 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2022-06-30 WO 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 (2 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-20240116965-A1 ORGANOMETALLIC COMPOUNDS DDT, PPOX, PDCD2L APP 4139/4885HSD17B1 3742/4885HSD17B2 3574/4885
US-20240383870-A1 HETEROCYCLIC ALDEHYDE TRAPPING COMPOUNDS AND USES THEREOF ALDH1A2, ALDH2, SSB APP 1636/4885HSD17B1 988/4885HSD17B2 1123/4885

“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.