SCHEMBL3434178

SCHEMBL3434178

NC(=O)CN1CCN(c2nc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 4/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
GAA P10253 1/20 0.43
GRM5 P41594 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SCN9A Q15858 1/20 0.38
SERPINE1 P05121 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL2080235 0.85 POLB (0.56) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL3435667 0.82 TXNRD1 (0.47) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL3435996 0.81 CYP1A2 (0.47) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL3436520 0.80 CYP1A2 (0.46) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2078557 0.79 MAPT (0.51) MAPTALDH1A1MAPK1POLBCYP3A4
SCHEMBL3435028 0.79 CYP1A2 (0.63) MAPTALDH1A1MAPK1POLBCYP1A2
SCHEMBL3435533 0.79 MAPT (0.55) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL3435531 0.77 ALDH1A1 (0.45) MAPTALDH1A1MAPK1CYP3A4CYP1A2
SCHEMBL3435979 0.77 MAPK1 (0.42) MAPTALDH1A1MAPK1POLBCYP3A4
SCHEMBL3436159 0.77 MAPT (0.61) MAPTALDH1A1MAPK1POLBTDP1

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 MAPT 1330/4885ALDH1A1 975/4885MAPK1 1316/4885

“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.