SCHEMBL3315404

SCHEMBL3315404

COc1cc(N2CCN(C(C)=O)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.72
ALDH1A1 P00352 5/20 0.72
GPR174 Q9BXC1 8/20 0.70
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.50
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL3320231 0.90 ALDH1A1 (0.57) MAPTALDH1A1GPR174SMN1; SMN2MEN1
SCHEMBL3312550 0.88 ALDH1A1 (0.55) MAPTALDH1A1GPR174SMN1; SMN2MEN1
SCHEMBL3317049 0.87 MAPT (0.79) MAPTALDH1A1GPR174SMN1; SMN2MEN1
SCHEMBL521504 0.86 MAPT (0.59) MAPTALDH1A1GPR174SMN1; SMN2MEN1
SCHEMBL31739514 0.84 MAPT (0.67) MAPTALDH1A1GPR174SMN1; SMN2MEN1
SCHEMBL3312015 0.84 LMNA (0.64) MAPTALDH1A1GPR174SMN1; SMN2MEN1
SCHEMBL30020102 0.84 MAPT (0.69) MAPTALDH1A1GPR174SMN1; SMN2MEN1
SCHEMBL3317301 0.83 MAPT (0.81) MAPTALDH1A1GPR174SMN1; SMN2MEN1
SCHEMBL22621220 0.82 GPR174 (1.00) MAPTALDH1A1GPR174SMN1; SMN2CYP1A2
SCHEMBL30965513 0.82 MAPT (0.67) MAPTALDH1A1GPR174SMN1; SMN2MEN1

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.