SCHEMBL4689569

SCHEMBL4689569

Cn1nc(C(=O)O)cc1-c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 7/20 0.48
PTPN1 P18031 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MCL1 Q07820 2/20 0.46
SMPD1 P17405 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PPP1CA P62136 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GRM5 P41594 1/20 0.44
MME P08473 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
SCHEMBL570061 0.85 RPA1 (0.63) RPA1SMN1; SMN2MCL1ALDH1A1PPP1CA
SCHEMBL2565035 0.84 RPA1 (0.66) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL1413877 0.84 KMT2A (0.58) RPA1SMN1; SMN2SMPD1ALDH1A1PPP1CA
SCHEMBL22578393 0.83 TP53 (0.54) SMN1; SMN2SMPD1MEN1KMT2ARXFP1
SCHEMBL2203114 0.83 RPA1 (0.51) RPA1MCL1ALDH1A1PPP1CAMEN1
SCHEMBL20430981 0.83 BAZ2B (0.54) SMPD1MEN1KMT2ARXFP1GRM5
SCHEMBL20656279 0.82 RPA1 (0.47) RPA1SMN1; SMN2ALDH1A1PPP1CAL3MBTL1
SCHEMBL4746928 0.81 MDM2 (0.58) RPA1SMN1; SMN2MCL1ALDH1A1PPP1CA
SCHEMBL4688189 0.81 NR1H4 (0.61) RPA1SMN1; SMN2ALDH1A1PPP1CAL3MBTL1
SCHEMBL14758678 0.81 KMO (0.49) RPA1SMN1; SMN2ALDH1A1PPP1CAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
EP-1685113-A1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-02 EP disclosed
WO-2005049578-A1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-06-02 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG RPA1 3262/4885PTPN1 2086/4885SMN1; SMN2 3739/4885

“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.