SCHEMBL4509457

SCHEMBL4509457

CCCc1cc(C(=O)O)nn1-c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ PPP1CA P62136 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ MALT1 Q9UDY8 3/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ MARS1 P56192 2/20 0.44
▸ CHRNA7 P36544 2/20 0.44
▸ ALDH1A1 P00352 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
SCHEMBL2865749 0.79 SMN1; SMN2 (0.66) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL2318841 0.77 RPA1 (0.68) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL11401592 0.76 ALDH1A1 (0.52) RPA1PPP1CAL3MBTL1ALDH1A1
SCHEMBL11400371 0.76 ALDH1A1 (0.52) RPA1PPP1CAL3MBTL1ALDH1A1
SCHEMBL11407818 0.76 ALDH1A1 (0.52) RPA1PPP1CAL3MBTL1ALDH1A1
SCHEMBL11400140 0.76 ALDH1A1 (0.52) RPA1PPP1CAL3MBTL1ALDH1A1
SCHEMBL11860723 0.75 POLB (0.61) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL28252118 0.75 HCAR2 (0.44) L3MBTL1MEN1KMT2ANFKB1MARS1
SCHEMBL20788373 0.75 SMN1; SMN2 (0.57) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL21082323 0.75 MALT1 (0.66) MEN1KMT2AMALT1NFKB1NFKB2

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 RPA1 3427/4885SMN1; SMN2 3624/4885PPP1CA 3092/4885

“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.

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