SCHEMBL3435121

SCHEMBL3435121

COc1ccc(N2CCN(CC(N)=O)CC2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.47
USP7 Q93009 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
PRMT1 Q99873 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3434270 0.90 GAA (0.46) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL3436540 0.87 HTR3E (0.55) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL4395358 0.87 DRD4 (0.51) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL13999709 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10GAANPC1
SCHEMBL3436304 0.84 POLB (0.48) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL13999792 0.84 KDM4E (0.40) ALDH1A1KDM4EHSD17B10GAAMEN1
SCHEMBL3436200 0.84 KMT2A (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL3434265 0.82 KDM4E (0.49) ALDH1A1KDM4EHSD17B10GAAMEN1
SCHEMBL3435109 0.82 MAPT (0.67) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL15540352 0.80 DRD2 (0.48) USP8USP7KDM4EGAAMEN1

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 USP8 687/4885USP7 1587/4885ALDH1A1 975/4885

“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.