SCHEMBL4490449

SCHEMBL4490449

COc1ccc(-c2cc(C(=O)O)cc(Cl)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.57
KDM4E B2RXH2 2/20 0.55
ALPL P05186 1/20 0.54
CA9 Q16790 1/20 0.54
CTRC Q99895 3/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MCL1 Q07820 3/20 0.51
PLA2G2A P14555 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
NR4A2 P43354 1/20 0.49
KDM5A P29375 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48

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
SCHEMBL27738184 0.85 ADORA3 (0.53) CTRCNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7675294 0.81 CTRC (0.71) KDM4ECTRCALDH1A1SMN1; SMN2MCL1
SCHEMBL26967691 0.78 KDM4E (0.54) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28187952 0.77 CTRC (0.53) KDM4EALPLCA9CTRCNPC1
SCHEMBL15383823 0.77 MCL1 (0.65) CHEK1KDM4EALPLCA9ALDH1A1
SCHEMBL29020194 0.76 KDM4E (0.62) CHEK1KDM4ECTRCNPC1RAB9A
SCHEMBL13280842 0.76 CTRC (0.53) CTRCNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29962056 0.76 KDM4E (0.62) CHEK1KDM4ECTRCNPC1RAB9A
SCHEMBL29723246 0.76 KDM4C (0.67) CHEK1KDM4EALPLCA9NPC1
SCHEMBL28441960 0.76 KDM4C (0.67) CHEK1KDM4EALPLCA9NPC1

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 CHEK1 2873/4885KDM4E 1047/4885ALPL 4469/4885

“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.