SCHEMBL3435511

SCHEMBL3435511

COC(=O)[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.56
NR1H3 Q13133 1/20 0.56
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 6/20 0.43
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
GRM5 P41594 1/20 0.42
ENPP2 Q13822 4/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL3436146 1.00 NR1H2 (0.56) NR1H2NR1H3KMT2AHTTMAPT
SCHEMBL3436429 0.86 NR1H2 (0.60) NR1H2NR1H3KMT2AHTTMAPT
SCHEMBL3436428 0.86 NR1H2 (0.60) NR1H2NR1H3KMT2AHTTMAPT
SCHEMBL3435108 0.84 NR1H2 (0.58) NR1H2NR1H3KMT2ALMNAMEN1
SCHEMBL3435574 0.84 NR1H2 (0.58) NR1H2NR1H3KMT2ALMNAMEN1
SCHEMBL25054060 0.82 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL30386832 0.82 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL28974721 0.81 PRKCQ (0.45) NR1H2NR1H3MAPTALDH1A1LMNA
SCHEMBL31013539 0.81 PRKCQ (0.45) NR1H2NR1H3MAPTALDH1A1LMNA
SCHEMBL15148025 0.81 NR1H2 (0.72) NR1H2NR1H3KMT2AMEN1

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 NR1H2 1846/4885NR1H3 2082/4885KMT2A 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.