SCHEMBL3434191

SCHEMBL3434191

NC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
OPRK1 P41145 14/20 0.44
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 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
SCHEMBL26131983 0.86 MAPT (0.51) ALDH1A1MAPK1HTTOPRK1MAPT
SCHEMBL31013246 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1HTTOPRK1CYP1A2
SCHEMBL29969961 0.86 MAPT (0.51) ALDH1A1MAPK1HTTOPRK1MAPT
SCHEMBL13999699 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1HTTOPRK1CYP1A2
SCHEMBL3435641 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1HTTOPRK1CYP1A2
SCHEMBL29493167 0.83 ALDH1A1 (0.47) ALDH1A1MAPK1HTTOPRK1CYP1A2
SCHEMBL26130393 0.83 ALDH1A1 (0.47) ALDH1A1MAPK1HTTOPRK1CYP1A2
SCHEMBL2711110 0.83 ALDH1A1 (0.71) ALDH1A1MAPK1HTTOPRK1CYP1A2
SCHEMBL29969095 0.82 OPRK1 (0.57) ALDH1A1MAPK1HTTOPRK1CYP1A2
SCHEMBL26130650 0.82 OPRK1 (0.57) ALDH1A1MAPK1HTTOPRK1CYP1A2

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 2 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

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 975/4885MAPK1 1316/4885HTT 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.