SCHEMBL4488017

SCHEMBL4488017

O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 7/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
L3MBTL1 Q9Y468 1/20 0.89
PPP1CA P62136 3/20 0.86
MEN1 O00255 1/20 0.86
KMT2A Q03164 1/20 0.86
ATM Q13315 1/20 0.86
SMPD1 P17405 1/20 0.72
MALT1 Q9UDY8 4/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
MARS1 P56192 1/20 0.70

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
SCHEMBL1514681 0.94 L3MBTL1 (0.89) RPA1SMN1; SMN2L3MBTL1PPP1CAMEN1
SCHEMBL4500796 0.94 L3MBTL1 (1.00) RPA1SMN1; SMN2L3MBTL1PPP1CAMEN1
SCHEMBL4493013 0.93 KMT2A (1.00) RPA1SMN1; SMN2L3MBTL1PPP1CAMEN1
Hydrochloric Acid SCHEMBL8742176 0.92 SMN1; SMN2 (0.97) RPA1SMN1; SMN2L3MBTL1PPP1CAMEN1
SCHEMBL1514562 0.90 RPA1 (0.85) RPA1SMN1; SMN2L3MBTL1PPP1CAMEN1
SCHEMBL1514559 0.88 PPP1CA (1.00) RPA1SMN1; SMN2L3MBTL1PPP1CAMEN1
SCHEMBL3873219 0.88 CHRNA7 (0.80) RPA1SMN1; SMN2L3MBTL1PPP1CAMEN1
SCHEMBL1765047 0.87 PPP1CA (0.78) RPA1SMN1; SMN2L3MBTL1PPP1CAMEN1
SCHEMBL28037928 0.84 RPA1 (0.73) RPA1SMN1; SMN2L3MBTL1PPP1CAMEN1
SCHEMBL14728132 0.84 SMN1; SMN2 (0.86) RPA1SMN1; SMN2L3MBTL1PPP1CAMEN1

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 3624/4885L3MBTL1 861/4885

“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.