SCHEMBL2539004

SCHEMBL2539004

O=C(O)c1sc(-n2cnc3ccc(OCc4ccccc4)cc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.45
PPARG P37231 2/20 0.42
EGLN1 Q9GZT9 1/20 0.41
NEK2 P51955 1/20 0.41
BCL2 P10415 1/20 0.40
BID P55957 1/20 0.40
MCL1 Q07820 1/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
PDE10A Q9Y233 2/20 0.40
NR4A2 P43354 1/20 0.39
SRD5A2 P31213 1/20 0.39
GPR34 Q9UPC5 2/20 0.39
PTGER1 P34995 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2537209 0.93 PLK1 (0.51) PLK1PPARGNEK2
SCHEMBL2543191 0.90 MEN1 (0.45) PLK1PPARG
SCHEMBL3795806 0.82 CXCR1 (0.47)
SCHEMBL3892051 0.82 PLK1 (0.43) PLK1CYP1A2
SCHEMBL2491218 0.81 PLK1 (0.44) PLK1NEK2
SCHEMBL2538071 0.81 PLK1 (0.43) PLK1NEK2
SCHEMBL3896391 0.80 ALDH1A1 (0.55) PLK1NEK2PTGER1
SCHEMBL2540418 0.80 PLK1 (0.43) PLK1PPARGNEK2PDE10A
SCHEMBL3893366 0.79 ALDH1A1 (0.44) PLK1PDE10APTGER1CYP1A2
SCHEMBL3890232 0.79 PLK1 (0.50) PLK1NEK2

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-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 PLK1 2782/4885PPARG 389/4885EGLN1 1634/4885

“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.