SCHEMBL3436508

SCHEMBL3436508

COc1ccc(C)c(N2CCN(CC(N)=O)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CFTR P13569 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
SCN9A Q15858 1/20 0.37
TSHR P16473 2/20 0.37
P4HB P07237 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PLAU P00749 1/20 0.36
GFER P55789 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL3436012 0.87 HTT (0.41) NNMTHTTSMN1; SMN2CFTRCYP1A2
SCHEMBL13999825 0.84 CYP1A2 (0.43) SMN1; SMN2CFTRCYP1A2CYP3A4GAA
SCHEMBL3435667 0.82 TXNRD1 (0.47) GAAKMT2AALDH1A1GFER
SCHEMBL3436520 0.82 CYP1A2 (0.46) CFTRCYP1A2CYP3A4GAACYP2C9
SCHEMBL3559294 0.79 HTR1A (0.37) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL3556935 0.77 CYP1A2 (0.38) CFTRCYP1A2CYP3A4GAACYP2C9
SCHEMBL3436530 0.77 CYP1A2 (0.38) SMN1; SMN2CFTRCYP1A2CYP3A4GAA
SCHEMBL3436405 0.75 TRPV1 (0.50) CFTRMEN1KMT2A
SCHEMBL3436713 0.74 ALDH1A1 (0.40) HTTSMN1; SMN2CYP1A2CYP3A4GAA
SCHEMBL3436304 0.73 POLB (0.48) HTTSMN1; SMN2GAAMEN1KMT2A

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 5 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
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 NNMT 245/4885HTT 4067/4885SMN1; SMN2 3601/4885

“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.