SCHEMBL3436036

SCHEMBL3436036

NC(=S)N1CCC[C@@H](O)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.62
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
CA9 Q16790 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.39
PDK1 Q15118 1/20 0.37
MAPK1 P28482 1/20 0.37
GRM3 Q14832 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PDE4B Q07343 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
SCHEMBL2080465 1.00 CA12 (0.62) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4523298 0.86
SCHEMBL9059444 0.78 CA12 (0.52) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL12669685 0.78 CA12 (0.52) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL9147164 0.78 CA12 (0.52) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4598450 0.78 CA12 (0.52) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL12668009 0.78 CA12 (0.52) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL9387897 0.78 CA12 (0.52) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4353711 0.78 CA12 (0.56) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL21875299 0.77 ALDH1A1 (0.50) CA12CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CA12 4153/4885CA1 3915/4885CA2 1798/4885

“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.