SCHEMBL21220122

SCHEMBL21220122

CCOC(=O)c1ncc2ncsc2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 3/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ILK Q13418 1/20 0.36
RAB9A P51151 2/20 0.35

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
SCHEMBL29475165 1.00 HSD17B10 (0.39) HSD17B10HPGDKDM4EPKMBRD4
SCHEMBL19806262 0.81 NMT2 (0.38) HSD17B10HPGDKDM4EPKMBRD4
SCHEMBL2880659 0.79 ALDH1A1 (0.41) HSD17B10KDM4EALDH1A1MAPTNPC1
SCHEMBL19806331 0.78 ADORA1 (0.40) HSD17B10HPGDKDM4EPKMALDH1A1
SCHEMBL19806332 0.76 HDAC4 (0.34) HSD17B10HPGDKDM4EPKMALDH1A1
SCHEMBL2960289 0.75 EGLN1 (0.32) KDM4EALDH1A1NPC1RAB9ATDP1
SCHEMBL2881009 0.75 ALDH1A1 (0.39) HSD17B10HPGDKDM4EALDH1A1MAPT
SCHEMBL2880509 0.72 KDM4E (0.57) HPGDKDM4EALDH1A1MAPTTP53
SCHEMBL2880781 0.72 CDC7 (0.56) HSD17B10PKMALDH1A1MAPTNPC1
SCHEMBL2884453 0.72 CDC7 (0.41) ALDH1A1MAPTCYP1A2CDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487860-B1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-04-14 EP disclosed
US-10561145-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-18 US disclosed
US-20190239510-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-08 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 (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-20190239510-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, BCHE HSD17B10 652/4885HPGD 1420/4885KDM4E 2452/4885
US-10561145-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, ACHE, BCHE HSD17B10 652/4885HPGD 1420/4885KDM4E 2452/4885

“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.