SCHEMBL6521765

SCHEMBL6521765

O=C(O)c1cc2cccc(CS)c2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
HPGD P15428 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
KMT2A Q03164 1/20 0.55
APEX1 P27695 2/20 0.54
DAO P14920 4/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 1/20 0.49
SRD5A2 P31213 1/20 0.49
FLT3 P36888 1/20 0.46
EIF4A3 P38919 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
NSD2 O96028 1/20 0.40
LMNA P02545 2/20 0.40
SMAD3 P84022 1/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PIN1 Q13526 1/20 0.38

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
SCHEMBL4048274 0.85 FLT3 (0.60) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL6185791 0.84 HSD17B10 (0.55) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL6520457 0.82 GLA (0.46) HPGDALDH1A1MEN1KMT2ADAO
SCHEMBL2450985 0.81 HSD17B10 (0.53) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL6529714 0.80 HPGD (0.51) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL29291199 0.79 HSD17B10 (0.50) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL9816343 0.78 HPGD (0.49) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL17136028 0.78 HSD17B10 (0.64) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL9816498 0.77 RHEB (0.48) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL11035155 0.76 HSD17B10 (0.62) HSD17B10HPGDALDH1A1MEN1USP2

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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 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 (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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK HSD17B10 4567/4885HPGD 4309/4885ALDH1A1 4597/4885

“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.