SCHEMBL4692437

SCHEMBL4692437

CCOC(=O)c1cc(-c2ccc(O)cc2)nn1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.58
SMN1; SMN2 Q16637 5/20 0.53
POLB P06746 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ESR1 P03372 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ESR2 Q92731 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
RAB9A P51151 5/20 0.46

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
SCHEMBL4689595 0.88 MAPT (0.58) FAAHSMN1; SMN2POLBTDP1MAPT
SCHEMBL5022767 0.88 TSHR (0.58) FAAHSMN1; SMN2POLBTDP1MAPT
SCHEMBL5340156 0.88 FAAH (0.57) FAAHSMN1; SMN2POLBTDP1MAPT
SCHEMBL3664984 0.87 SMN1; SMN2 (0.68) FAAHSMN1; SMN2POLBTDP1MAPT
SCHEMBL4692400 0.86 MAPT (0.66) FAAHSMN1; SMN2POLBTDP1MAPT
SCHEMBL4692482 0.85 MAPT (0.56) FAAHSMN1; SMN2POLBTDP1MAPT
SCHEMBL4694868 0.85 FAAH (0.55) FAAHSMN1; SMN2POLBTDP1MAPT
SCHEMBL4685138 0.84 FAAH (0.54) FAAHSMN1; SMN2POLBTDP1MAPT
SCHEMBL14152735 0.84 ALDH1A1 (0.55) FAAHSMN1; SMN2POLBTDP1MAPT
SCHEMBL4692229 0.83 FAAH (0.53) FAAHSMN1; SMN2POLBTDP1MAPT

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 FAAH 274/4885SMN1; SMN2 3739/4885POLB 1542/4885

“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.