SCHEMBL4497415

SCHEMBL4497415

O=C(O)c1nc(-c2ccccc2)n2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
POLB P06746 2/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 1/20 0.60
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CSNK2A2 P19784 2/20 0.43
CSNK2B P67870 2/20 0.43
CSNK2A1 P68400 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PIN1 Q13526 1/20 0.42

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
SCHEMBL3899222 0.85 L3MBTL1 (0.56) L3MBTL1POLBHPGDSMN1; SMN2MAPK1
SCHEMBL25374632 0.83 HAT1 (0.49) L3MBTL1POLBHPGDSMN1; SMN2MAPK1
SCHEMBL4497771 0.82 BRD4 (0.50) L3MBTL1POLBHPGDSMN1; SMN2MAPK1
SCHEMBL3898664 0.81 HPGD (0.44) L3MBTL1POLBHPGDSMN1; SMN2MAPK1
SCHEMBL2743130 0.79 PTGS2 (0.49) L3MBTL1POLBHPGDSMN1; SMN2MAPK1
SCHEMBL1312896 0.79 CSNK2A2 (0.55) HPGDSMN1; SMN2MAPK1PTGS2PTGS1
SCHEMBL9904801 0.77 SIGMAR1 (0.49) L3MBTL1POLBHPGDSMN1; SMN2MAPK1
SCHEMBL13325875 0.77 PTPN1 (0.55) L3MBTL1POLBHPGDSMN1; SMN2MAPK1
SCHEMBL13325874 0.77 KMT2A (0.67) L3MBTL1POLBHPGDSMN1; SMN2MAPK1
SCHEMBL10679134 0.76 PTGS1 (0.43) L3MBTL1POLBHPGDSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 L3MBTL1 861/4885POLB 2936/4885HPGD 4003/4885

“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.