SCHEMBL3436611

SCHEMBL3436611

COC(=O)c1cccc(C)c1N1CCN(CC(N)=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
HTT P42858 1/20 0.64
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPK1 P28482 2/20 0.56
PKM P14618 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTR7 P34969 1/20 0.50
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 2/20 0.43
MAPK10 P53779 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL3434257 0.87 ALDH1A1 (0.61) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL3436619 0.87 ALDH1A1 (0.50) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL5228101 0.86 MEN1 (0.55) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL3435509 0.82 ALDH1A1 (0.62) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL3436297 0.80 KMT2A (0.47) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL27975938 0.79 MEN1 (0.57) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL5745278 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL13999571 0.78 MEN1 (0.46) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL27975890 0.78 ALDH1A1 (0.53) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL27976214 0.78 DRD3 (0.54) ALDH1A1L3MBTL1HTTMAPTKDM4E

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 ALDH1A1 975/4885L3MBTL1 3267/4885HTT 4067/4885

“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.