SCHEMBL3435972

SCHEMBL3435972

NC(=O)CN1CCN(c2c(F)cc(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
CYP3A4 P08684 2/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
GAA P10253 2/20 0.39
SCN9A Q15858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL2080507 0.88 MAPT (0.41) MAPTCYP3A4BLMPMP22MAPK1
SCHEMBL2079989 0.85 MAPK1 (0.39) MAPTCYP3A4BLMPMP22MAPK1
SCHEMBL3434169 0.82 MAPK1 (0.47) MAPTMAPK1ALDH1A1LMNACYP2C9
SCHEMBL3435589 0.80 GAA (0.43) MAPTCYP3A4ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL3435979 0.80 MAPK1 (0.42) MAPTCYP3A4BLMPMP22MAPK1
SCHEMBL3436159 0.80 MAPT (0.61) MAPTCYP3A4BLMPMP22MAPK1
SCHEMBL3436488 0.79 CYP1A2 (0.42) MAPTCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL3434236 0.79 MAPK1 (0.43) MAPTMAPK1ALDH1A1LMNACYP2C9
SCHEMBL3435531 0.78 ALDH1A1 (0.45) MAPTCYP3A4BLMPMP22MAPK1
SCHEMBL3435981 0.78 MAPT (0.52) MAPTCYP3A4BLMPMP22MAPK1

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 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.