SCHEMBL2810095

SCHEMBL2810095

O=C(NN1C=Cc2sncc2C1)c1csc(N2CCN(C(=O)OCc3ccc(SC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ENPP2 Q13822 1/20 0.31
HDAC1 Q13547 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL16927716 0.78 CHEK1 (0.33) MAPTSMN1; SMN2HRH3
SCHEMBL2810093 0.74 LMNA (0.34) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2806094 0.74 KEAP1 (0.37) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2810097 0.73 MAPT (0.37) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2810697 0.73 CLK2 (0.43)
SCHEMBL13883760 0.73 LMNA (0.34) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2809795 0.73 MAPT (0.35) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2865558 0.72 MAPT (0.37) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL13129755 0.71 MAPT (0.35) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL16927761 0.70 ENPP2 (0.46) ENPP2

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-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US claimed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US claimed

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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 LMNA 1974/4885MAPT 1450/4885MAPK1 4175/4885

“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.