SCHEMBL4500796

SCHEMBL4500796

O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 1.00
RPA1 P27694 5/20 0.89
SMN1; SMN2 Q16637 2/20 0.89
PPP1CA P62136 3/20 0.84
MARS1 P56192 2/20 0.79
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
ATM Q13315 1/20 0.78
MALT1 Q9UDY8 2/20 0.74
BCL2 P10415 2/20 0.64
MDM2 Q00987 2/20 0.64
MCL1 Q07820 2/20 0.64

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) L3MBTL1RPA1SMN1; SMN2PPP1CAMARS1
SCHEMBL4488017 0.94 RPA1 (1.00) L3MBTL1RPA1SMN1; SMN2PPP1CAMARS1
SCHEMBL1514559 0.92 PPP1CA (1.00) L3MBTL1RPA1SMN1; SMN2PPP1CAMARS1
SCHEMBL695352 0.89 RPA1 (1.00) L3MBTL1RPA1SMN1; SMN2PPP1CAMARS1
SCHEMBL116301 0.88 MARS1 (1.00) L3MBTL1RPA1SMN1; SMN2PPP1CAMARS1
SCHEMBL4493013 0.87 KMT2A (1.00) L3MBTL1RPA1SMN1; SMN2PPP1CAMARS1
SCHEMBL1110855 0.87 PPP1CA (0.87) L3MBTL1RPA1SMN1; SMN2PPP1CAMARS1
Hydrochloric Acid SCHEMBL8742176 0.86 SMN1; SMN2 (0.97) L3MBTL1RPA1SMN1; SMN2PPP1CAMARS1
SCHEMBL27714729 0.85 KMT2A (0.89) L3MBTL1RPA1SMN1; SMN2PPP1CAMARS1
SCHEMBL1765047 0.85 PPP1CA (0.78) L3MBTL1RPA1SMN1; SMN2PPP1CAMARS1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP claimed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO claimed
CN-102659774-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE 2012-09-12 CN disclosed
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
CN-101282972-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE (CH) 2008-10-08 CN 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
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP disclosed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO 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 L3MBTL1 861/4885RPA1 3427/4885SMN1; SMN2 3624/4885

“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.