SCHEMBL3603744

SCHEMBL3603744

O=C(NC1CCCCCC1)c1onc(-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.53
HTT P42858 3/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
LMNA P02545 3/20 0.50
HIF1A Q16665 1/20 0.48
CNR1 P21554 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GABRA5 P31644 2/20 0.46
GAA P10253 1/20 0.44
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL3601432 0.81 S1PR1 (0.57) S1PR1HTTRAB9ANPC1LMNA
SCHEMBL27778831 0.77 ABCB1 (0.48) HTTLMNAKMT2AALDH1A1MEN1
SCHEMBL25728249 0.77 TRPV1 (0.55) S1PR1RAB9ANPC1LMNAHIF1A
SCHEMBL13316478 0.75 ABCB1 (0.46) HTTRAB9ALMNAKMT2AALDH1A1
SCHEMBL3608887 0.74 PTGS1 (0.53) HTTLMNAALDH1A1SMN1; SMN2GABRA5
SCHEMBL13902147 0.69 S1PR1 (1.00) S1PR1RAB9ANPC1KMT2AMEN1
SCHEMBL1753170 0.69 CACNA1F (0.48) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL13901830 0.69 USP30 (0.64) S1PR1RAB9ANPC1LMNAHIF1A
Dinitrophenylene SCHEMBL27647742 0.69 NPC1 (0.62) RAB9ANPC1ALDH1A1
SCHEMBL13258190 0.67 TRPV1 (0.81) TRPV1

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-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GLATTHAR RALF 2010-06-03 US disclosed
EP-2132210-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS Novartis AG (CH) 2009-12-16 EP disclosed
WO-2008107418-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS NOVARTIS AG (CH) 2008-09-12 WO 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-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GRM1, GRM2, GRM3 S1PR1 287/4885HTT 1403/4885RAB9A 1068/4885

“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.