SCHEMBL3435978

SCHEMBL3435978

CC(C)(C)OC(=O)N1CCC=C(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.51
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTR6 P50406 1/20 0.43
MET P08581 1/20 0.42
P2RX3 P56373 1/20 0.42
GRM5 P41594 4/20 0.41
GRM1 Q13255 4/20 0.41
NAMPT P43490 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
ESR2 Q92731 1/20 0.40
HPGD P15428 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 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
SCHEMBL83151 0.90 PDK4 (0.63) PDK4ALDH1A1LMNAMAPTHTR6
SCHEMBL31155298 0.90 PDK4 (0.63) PDK4ALDH1A1LMNAMAPTHTR6
SCHEMBL3953658 0.84 PDK4 (0.57) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL3435107 0.83 PDK4 (0.55) PDK4ALDH1A1LMNAMAPTHTR6
SCHEMBL30193218 0.80 PDK4 (0.59) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL4248631 0.80 PDK4 (0.59) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL31358063 0.78 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMETP2RX3
SCHEMBL23629157 0.77 PDK4 (0.56) PDK4HTR6GRM5GRM1NAMPT
SCHEMBL3155919 0.76 POLB (0.56) ALDH1A1LMNAMAPTMETHPGD
SCHEMBL21275231 0.76 NR1H2 (0.50) PDK4ALDH1A1LMNAMAPTMET

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 PDK4 1001/4885ALDH1A1 975/4885LMNA 4712/4885

“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.