SCHEMBL3435671

SCHEMBL3435671

NC(=O)CN1CCCN(c2ncccc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 1/20 0.64
GRM5 P41594 2/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.49
HSD11B1 P28845 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
P2RX7 Q99572 1/20 0.47

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
SCHEMBL3435028 0.95 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19GRM5LMNA
SCHEMBL3434300 0.82 P2RX7 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1HSD11B1
SCHEMBL3435664 0.81 MAPT (0.50) GRM5LMNAALDH1A1MAPTL3MBTL1
SCHEMBL3436525 0.81 P2RX7 (0.49) POLBHSD11B1P2RX7
SCHEMBL5795083 0.80 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19GRM5LMNA
SCHEMBL29577310 0.80 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19GRM5LMNA
SCHEMBL6708175 0.80 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19GRM5LMNA
SCHEMBL781659 0.80 CYP1A2 (0.87) CYP1A2CYP2C9CYP2C19GRM5LMNA
Hydrochloric Acid SCHEMBL27538332 0.79 CYP1A2 (0.97) CYP1A2CYP2C9CYP2C19GRM5LMNA
SCHEMBL3434236 0.77 MAPK1 (0.43) CYP1A2CYP2C9CYP2C19LMNAALDH1A1

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 CYP1A2 1955/4885CYP2C9 2215/4885CYP2C19 1395/4885

“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.