SCHEMBL3317301

SCHEMBL3317301

CC(=O)N1CCN(c2cc(F)c(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.81
ALDH1A1 P00352 5/20 0.81
GPR174 Q9BXC1 8/20 0.79
LMNA P02545 3/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL3317049 0.90 MAPT (0.79) MAPTALDH1A1GPR174LMNAGAA
SCHEMBL22621220 0.88 GPR174 (1.00) MAPTALDH1A1GPR174LMNAGAA
SCHEMBL22621283 0.85 GPR174 (1.00) MAPTALDH1A1GPR174LMNAGAA
SCHEMBL10359737 0.83 MAPT (0.65) MAPTALDH1A1GPR174LMNASMN1; SMN2
SCHEMBL5989854 0.83 MAPT (0.72) MAPTALDH1A1GPR174LMNASMN1; SMN2
SCHEMBL3315404 0.83 MAPT (0.72) MAPTALDH1A1GPR174LMNAGAA
SCHEMBL16123482 0.81 MAPT (0.60) MAPTALDH1A1GPR174LMNAGAA
SCHEMBL31739514 0.80 MAPT (0.67) MAPTALDH1A1GPR174LMNAGAA
SCHEMBL9302533 0.79 GPR174 (0.67) MAPTALDH1A1GPR174LMNAGAA
SCHEMBL10359736 0.78 MAPT (0.58) MAPTALDH1A1GPR174LMNAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS MAPT 2130/4885ALDH1A1 649/4885GPR174 1108/4885

“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.