SCHEMBL3436563

SCHEMBL3436563

Cc1cc(/C=C\C#N)cnc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 1/20 0.33
DHODH Q02127 2/20 0.32
DRD4 P21917 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13999797 1.00 AOC3 (0.38) AOC3MEN1KMT2APOLBALDH1A1
SCHEMBL3436562 0.82 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL3436557 0.80 MEN1 (0.46) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3558817 0.78 ALDH1A1 (0.38) AOC3MEN1KMT2APOLBALDH1A1
SCHEMBL3436558 0.77 KMT2A (0.43) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3436553 0.77 SMN1; SMN2 (0.44) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL3436532 0.77 CHRM1 (0.45) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3436568 0.71 AOC3 (0.38) AOC3MEN1KMT2APOLBALDH1A1
SCHEMBL3434342 0.71 MEN1 (0.40) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3436405 0.70 TRPV1 (0.50) AOC3MEN1KMT2APOLBDRD4

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 AOC3 2443/4885MEN1 4778/4885KMT2A 1707/4885

“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.