SCHEMBL2546041

SCHEMBL2546041

NC(=O)c1sc(-n2cnc3ccc(OCCCNCCO)cc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.42
PLK1 P53350 13/20 0.40
PLK3 Q9H4B4 6/20 0.40
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2491218 0.90 PLK1 (0.44) PLK1PLK3
SCHEMBL2540418 0.89 PLK1 (0.43) PLK1PLK3
SCHEMBL2538071 0.88 PLK1 (0.43) PLK1PLK3
SCHEMBL2493645 0.88 PLK1 (0.47) PLK1PLK3
SCHEMBL2536134 0.86 PLK1 (0.55) SRCPLK1PLK3
SCHEMBL2540373 0.85 PLK1 (0.50) SRCPLK1PLK3
SCHEMBL2540425 0.85 AVPR1B (0.47) PLK1PLK3
SCHEMBL2538280 0.84 AVPR1B (0.48) PLK1PLK3
SCHEMBL2540395 0.83 CXCR1 (0.46) PLK1PLK3KMT2A
SCHEMBL2537209 0.83 PLK1 (0.51) PLK1PLK3

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 8 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 claimed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US claimed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
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
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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 SRC 2332/4885PLK1 2782/4885PLK3 1584/4885

“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.