SCHEMBL2080164

SCHEMBL2080164

CCOC(=O)c1csc(N2CCC(C(N)=O)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.57
RAB9A P51151 8/20 0.57
NPC1 O15118 7/20 0.57
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
OGA O60502 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL2080451 0.89 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5723882 0.86 OGA (0.52) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5723854 0.85 GAA (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3435164 0.84 OGA (0.50) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL15888547 0.84 HRH3 (0.53) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL27149236 0.84 GAA (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL7185606 0.83 ALDH1A1 (0.62) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL31669107 0.83 ALDH1A1 (0.50) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL15888540 0.82 OGA (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL10464669 0.82 ALDH1A1 (0.64) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 7 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-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
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 SMN1; SMN2 3601/4885RAB9A 4401/4885NPC1 4245/4885

“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.