SCHEMBL3435958

SCHEMBL3435958

COC(=O)Cc1ccc([N+](=O)[O-])c(N2CCN(CC(N)=O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
CYP3A4 P08684 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL3436286 0.83 MAPK1 (0.52) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3436053 0.83 GAA (0.48) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL3435038 0.82 MAPT (0.55) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3435477 0.81 MAPT (0.51) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3435064 0.81 MAPT (0.46) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL2078557 0.78 MAPT (0.51) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3436167 0.78 MAPT (0.51) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3435506 0.78 MAPT (0.65) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3435109 0.76 MAPT (0.67) MAPTALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL3435561 0.75 MAPT (0.54) MAPTCYP3A4BLMPMP22ALDH1A1

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 MAPT 1330/4885CYP3A4 1991/4885BLM 4861/4885

“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.