SCHEMBL4498836

SCHEMBL4498836

C=CC(=O)Oc1cn(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 5/20 0.50
PTGS2 P35354 1/20 0.50
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
AURKA O14965 1/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MITF O75030 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
PPARG P37231 1/20 0.45
TSHR P16473 1/20 0.43
USP2 O75604 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
SCHEMBL28548700 0.89 MAPK1 (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2563755 0.80 MAPT (0.63) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL27808153 0.74 KDM4E (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8915190 0.71 THRB (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL15452465 0.70 PTGS2 (0.71) MAPTMEN1KMT2AALDH1A1PTGS2
SCHEMBL4501557 0.70 ALDH1A1 (0.82) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4498839 0.69 MAPT (0.63) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL23928703 0.68 ALDH1A1 (0.64) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL35121 0.68 FABP3 (0.49) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL29733244 0.68 FABP3 (0.49) MAPTKMT2AALDH1A1KDM4ELMNA

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 MAPT 4669/4885MEN1 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.