SCHEMBL3435533

SCHEMBL3435533

NC(=O)C1CCN(c2nc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
POLB P06746 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 7/20 0.50
NPC1 O15118 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.43
RHOA P61586 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3435698 0.80 TSHR (0.47) L3MBTL1CYP3A4CYP2C19ALDH1A1NPC1
SCHEMBL3436518 0.79 ALDH1A1 (0.52) L3MBTL1CYP3A4CYP2C19ALDH1A1NPC1
SCHEMBL3434178 0.79 MAPT (0.45) MAPTL3MBTL1POLBCYP1A2CYP3A4
SCHEMBL2078675 0.79 MAPT (0.72) MAPTL3MBTL1POLBCYP1A2CYP3A4
SCHEMBL782065 0.73 MAPT (0.55) MAPTL3MBTL1POLBCYP1A2CYP3A4
SCHEMBL4672890 0.72 ALDH1A1 (0.64) MAPTL3MBTL1POLBCYP1A2CYP3A4
SCHEMBL3436153 0.72 MAPT (0.68) MAPTL3MBTL1POLBCYP1A2CYP3A4
SCHEMBL3434186 0.72 MAPT (0.60) MAPTL3MBTL1POLBCYP1A2CYP3A4
SCHEMBL3543810 0.71 MAPT (0.42) MAPTL3MBTL1POLBCYP1A2CYP2C9
SCHEMBL3436208 0.71 MAPT (0.42) MAPTL3MBTL1POLBCYP1A2CYP2C9

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 1330/4885L3MBTL1 3267/4885POLB 4512/4885

“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.