SCHEMBL3436602

SCHEMBL3436602

Cc1cccc(C#N)c1N1CCN(CC(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 8/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.42
DRD2 P14416 3/20 0.42
KDM4E B2RXH2 3/20 0.42
DRD3 P35462 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR2A P28223 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
AOC3 Q16853 1/20 0.39
HSD11B1 P28845 1/20 0.39
C5AR1 P21730 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL5228101 0.86 MEN1 (0.55) MEN1KMT2AALDH1A1L3MBTL1HTT
Hydrochloric Acid SCHEMBL2078993 0.85 DRD4 (0.42) DRD4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3436619 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL3436297 0.80 KMT2A (0.47) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL3436531 0.80 AOC3 (0.39) DRD4ALDH1A1CYP1A2CYP3A4AOC3
SCHEMBL27597061 0.80 DRD4 (0.59) DRD4ALDH1A1MAPTDRD2KDM4E
SCHEMBL3554062 0.79 DRD4 (0.46) DRD4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3436844 0.78 LMNA (0.42) DRD4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL13999571 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL13999570 0.78 ALDH1A1 (0.38) MEN1KMT2AALDH1A1L3MBTL1HTT

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 DRD4 4535/4885MEN1 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.