SCHEMBL353794

SCHEMBL353794

C/C(N)=N\OC(=O)c1ccc(F)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.47
VNN1 O95497 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CNR2 P34972 1/20 0.40
CYP1A2 P05177 1/20 0.40
PKM P14618 3/20 0.39
PLA2G7 Q13093 1/20 0.39
NPC1 O15118 9/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
POLB P06746 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
SCHEMBL353796 1.00 RAB9A (0.47) RAB9AVNN1KMT2AMEN1ALDH1A1
SCHEMBL366584 0.79 CA1 (0.47) RAB9AVNN1KMT2AMEN1ALDH1A1
SCHEMBL14012579 0.79 CA1 (0.47) RAB9AVNN1KMT2AMEN1ALDH1A1
SCHEMBL30961881 0.79 CA1 (0.47) RAB9AVNN1KMT2AMEN1ALDH1A1
SCHEMBL353795 0.78 VNN1 (0.40) VNN1ALDH1A1SMN1; SMN2CNR2
SCHEMBL14012595 0.77 CYP11B1 (0.49) RAB9AVNN1KMT2AMEN1ALDH1A1
SCHEMBL586822 0.77 CYP11B1 (0.49) RAB9AVNN1KMT2AMEN1ALDH1A1
SCHEMBL29896891 0.77 CYP11B1 (0.49) RAB9AVNN1KMT2AMEN1ALDH1A1
SCHEMBL3085415 0.77 CYP11B2 (0.49) VNN1CNR2
SCHEMBL15867031 0.77 VNN1 (0.56) VNN1ALDH1A1SMN1; SMN2CNR2

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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R RAB9A 2225/4885VNN1 2522/4885KMT2A 3251/4885

“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.