SCHEMBL4500091

SCHEMBL4500091

N#Cc1cc(-c2ccccc2)oc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 9/20 0.48
HPGD P15428 7/20 0.48
MAPT P10636 5/20 0.48
GAA P10253 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.46
GALR3 O60755 1/20 0.46
PDE4A P27815 2/20 0.45
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
NOTUM Q6P988 1/20 0.39

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
SCHEMBL1789380 0.79 MEN1 (0.50) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL14088960 0.75 KDM4E (0.61) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL8242900 0.75 KDM4E (0.61) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL23447590 0.69 KDM4E (0.50) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7676627 0.69 KMT2A (0.58) KDM4EMEN1KMT2AHPGDPOLB
SCHEMBL10205941 0.69 MAOB (0.52) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL4505454 0.69 KCNA3 (0.44) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL5772616 0.69 RAB9A (0.47) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL31358675 0.68 CHRM2 (0.42) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL11085347 0.67 PRKDC (0.45) KDM4EMEN1KMT2ALMNAALDH1A1

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 KDM4E 1047/4885MEN1 4495/4885KMT2A 1216/4885

“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.