SCHEMBL3556009

SCHEMBL3556009

CSCCN(C)c1nc(C)cs1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC12A5 Q9H2X9 2/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 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
SCHEMBL13634342 0.80 NOS1 (0.38) NOS1SMN1; SMN2SLC12A5CYP2D6KDM4E
SCHEMBL13634285 0.80 MEN1 (0.36) LMNAKMT2A
SCHEMBL3506347 0.79 MAPK1 (0.42) NOS1SMN1; SMN2SLC12A5CYP2D6KDM4E
SCHEMBL13999554 0.78 HTR2B (0.35) ALDH1A1
SCHEMBL18674691 0.76 ALDH1A1 (0.35) NOS1SMN1; SMN2SLC12A5CYP2D6KDM4E
SCHEMBL13634391 0.76 NOS1 (0.34) NOS1SMN1; SMN2SLC12A5CYP2D6KDM4E
SCHEMBL232983 0.76 SMN1; SMN2 (0.40) NOS1SMN1; SMN2SLC12A5CYP2D6KDM4E
SCHEMBL11321680 0.74 SLC12A5 (0.34) SMN1; SMN2SLC12A5CYP2D6KDM4ELMNA
SCHEMBL13425206 0.73 KDM4E (0.40) SMN1; SMN2SLC12A5CYP2D6KDM4ELMNA
SCHEMBL13162306 0.73

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 NOS1 1900/4885SMN1; SMN2 3601/4885SLC12A5 3229/4885

“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.