SCHEMBL3601432

SCHEMBL3601432

Nc1c(-c2ccccc2)noc1C(=O)NC1CCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.57
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
CNR1 P21554 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GABRA5 P31644 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
HPGD P15428 1/20 0.46
MLLT3 P42568 1/20 0.46
MLLT1 Q03111 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL25728249 0.84 TRPV1 (0.55) S1PR1NPC1RAB9AHIF1ASMN1; SMN2
SCHEMBL3603744 0.81 S1PR1 (0.53) S1PR1NPC1RAB9AHIF1ASMN1; SMN2
SCHEMBL27778836 0.75 MEN1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL13902147 0.73 S1PR1 (1.00) S1PR1NPC1RAB9AKMT2AMEN1
SCHEMBL13316477 0.72 GAA (0.50) SMN1; SMN2KMT2AALDH1A1MEN1GAA
SCHEMBL13901830 0.72 USP30 (0.64) S1PR1NPC1RAB9AHIF1ASMN1; SMN2
SCHEMBL9220281 0.71 RAB9A (0.69) S1PR1NPC1RAB9AHIF1ASMN1; SMN2
SCHEMBL13258190 0.71 TRPV1 (0.81) TRPV1
SCHEMBL6324531 0.71 DYRK1A (0.50) S1PR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6315727 0.71 DYRK1A (0.50) S1PR1NPC1RAB9ASMN1; SMN2KMT2A

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 287/4885NPC1 787/4885RAB9A 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.