SCHEMBL5573293

SCHEMBL5573293

NC1=NC(=O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR2C P28335 1/20 0.43
CTRB1 P17538 1/20 0.43
P2RX4 Q99571 2/20 0.43
P2RX1 P51575 1/20 0.42
P2RX3 P56373 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41

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
SCHEMBL29235094 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL5571305 0.78 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL5573329 0.75 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL5573787 0.74 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL5574715 0.74 SYK (0.43) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL5573770 0.73 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL3236166 0.72 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL2539997 0.72 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL23219629 0.71 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL1800589 0.71 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268231-B2 1,5-Naphthyridine azolinone HOFFMANN-LA ROCHE INC. (US) 2007-09-11 US disclosed
US-7268231-B2 1,5-Naphthyridine azolinone HOFFMANN-LA ROCHE INC. (US) 2007-09-11 US disclosed
US-7268231-B2 1,5-Naphthyridine azolinone HOFFMANN-LA ROCHE INC. (US) 2007-09-11 US disclosed
EP-1805174-A1 1,5-NAPHTHYRIDINE AZOLIDINONES HAVING CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-07-11 EP disclosed
WO-2006040052-A1 1,5-NAPHTHYRIDINE AZOLIDINONES HAVING CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO disclosed
US-20060084673-A1 1,5-naphthyridine azolinone LIU JIN-JUN 2006-04-20 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-20060084673-A1 1,5-naphthyridine azolinone CDK1, CDK15, CDK14 NPC1 3308/4885RAB9A 3599/4885SMN1; SMN2 3551/4885

“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.