SCHEMBL3436166

SCHEMBL3436166

CCOC(=O)C1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
ALDH1A1 P00352 2/20 0.57
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
CTSB P07858 1/20 0.55
GPR119 Q8TDV5 7/20 0.52
VCAM1 P19320 1/20 0.51
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL10278259 0.89 MAPT (0.55) MAPTALDH1A1TP53HTTCTSB
SCHEMBL3561809 0.83 MAPT (0.58) MAPTALDH1A1TP53KMT2ARAB9A
SCHEMBL4255322 0.82 CTSB (0.68) MAPTALDH1A1TP53HTTCTSB
SCHEMBL20522605 0.80 MAPT (0.61) MAPTALDH1A1TP53HTTCTSB
SCHEMBL3435641 0.78 ALDH1A1 (0.50) MAPTALDH1A1HTTPOLBMAPK1
SCHEMBL4706571 0.78 MAPT (0.60) MAPTALDH1A1TP53HTTCTSB
Benzene SCHEMBL1673960 0.77 CTSB (0.52) MAPTALDH1A1TP53HTTCTSB
SCHEMBL2491808 0.77 MAPT (0.67) MAPTALDH1A1TP53HTTCTSB
SCHEMBL2269393 0.76 MAPT (0.55) MAPTALDH1A1HTTKMT2APOLB
SCHEMBL4104844 0.76 MAPT (0.55) MAPTKDM4E

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 3 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
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 MAPT 1330/4885ALDH1A1 975/4885TP53 1649/4885

“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.