SCHEMBL4692188

SCHEMBL4692188

CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)nn1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
FAAH O00519 2/20 0.55
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
APEX1 P27695 1/20 0.53
RECQL P46063 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSP90AA1 P07900 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
PPARG P37231 1/20 0.50
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
MCL1 Q07820 1/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL4688360 0.87 MCL1 (0.56) SMN1; SMN2POLBL3MBTL1MEN1KMT2A
SCHEMBL7910944 0.87 MAPT (0.80) MAPTSMN1; SMN2POLBTDP1FAAH
SCHEMBL3664984 0.86 SMN1; SMN2 (0.68) MAPTSMN1; SMN2POLBTDP1FAAH
SCHEMBL26003748 0.84 SMN1; SMN2 (0.50) MAPTSMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL4692400 0.82 MAPT (0.66) MAPTSMN1; SMN2POLBTDP1FAAH
SCHEMBL4692437 0.82 FAAH (0.58) MAPTSMN1; SMN2POLBTDP1FAAH
SCHEMBL4691716 0.80 MDM2 (0.56) SMN1; SMN2FAAHALDH1A1L3MBTL1MEN1
SCHEMBL13860436 0.80 PIK3CD (0.55) MAPTSMN1; SMN2POLBALDH1A1L3MBTL1
SCHEMBL12989241 0.80 ENPP3 (0.53) SMN1; SMN2POLBALDH1A1L3MBTL1MEN1
SCHEMBL2423765 0.79 FAAH (0.59) MAPTSMN1; SMN2POLBTDP1FAAH

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 4679/4885SMN1; 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.