SCHEMBL3553091

SCHEMBL3553091

COC[C@@H](C)N(C)c1nc(C)cs1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
GRM5 P41594 4/20 0.35
LMNA P02545 1/20 0.34
NOS1 P29475 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC12A5 Q9H2X9 2/20 0.30
CYP2D6 P10635 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
SCHEMBL10278352 1.00 THRB (0.38) THRBGRM5LMNANOS1SMN1; SMN2
SCHEMBL13634281 0.81 MEN1 (0.38) THRBLMNAMEN1KMT2A
SCHEMBL3436066 0.78 THRB (0.40) THRBGRM5KDM4EALDH1A1MEN1
SCHEMBL15888548 0.77 RAB9A (0.49) THRBLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL3436042 0.77 RAB9A (0.49) THRBLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL13162771 0.75 THRB (0.33) THRB
SCHEMBL18674691 0.73 ALDH1A1 (0.35) GRM5LMNANOS1SMN1; SMN2KDM4E
SCHEMBL3546215 0.71 GRM5 (0.35) GRM5LMNANOS1SMN1; SMN2MEN1
SCHEMBL18678194 0.69 CRHR1 (0.42) LMNANOS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL770846 0.68

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-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

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 THRB 1172/4885GRM5 1055/4885LMNA 4712/4885

“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.