SCHEMBL4692482

SCHEMBL4692482

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
FAAH O00519 2/20 0.55
POLB P06746 3/20 0.54
PPARG P37231 3/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.47
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
APEX1 P27695 1/20 0.45

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
SCHEMBL4685138 0.89 FAAH (0.54) MAPTNPC1RAB9AMEN1GAA
SCHEMBL4688975 0.86 SMN1; SMN2 (0.58) MAPTNPC1RAB9AMEN1GAA
SCHEMBL4692437 0.85 FAAH (0.58) MAPTNPC1RAB9AFAAHPOLB
SCHEMBL5340156 0.84 FAAH (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4689595 0.84 MAPT (0.58) MAPTNPC1RAB9AMEN1CYP2C9
SCHEMBL5022767 0.84 TSHR (0.58) MAPTNPC1RAB9AMEN1CYP2C9
SCHEMBL3664984 0.84 SMN1; SMN2 (0.68) MAPTNPC1RAB9AFAAHPOLB
SCHEMBL4692575 0.83 PPARG (0.56) MAPTNPC1RAB9AMEN1GAA
SCHEMBL4692400 0.83 MAPT (0.66) MAPTNPC1RAB9AMEN1GAA
SCHEMBL2423765 0.82 FAAH (0.59) MAPTNPC1RAB9AGAAFAAH

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-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

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 MAPT 4679/4885NPC1 981/4885RAB9A 3248/4885

“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.