SCHEMBL5641397

SCHEMBL5641397

OCc1ccc2oc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
TP53 P04637 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
MEN1 O00255 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
KMT2A Q03164 1/20 0.55
RELA Q04206 1/20 0.55
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
HPSE Q9Y251 5/20 0.52
CETP P11597 1/20 0.52
UTRN P46939 2/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL26686764 0.85 NPC1 (0.64) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL5641355 0.85 MAPT (0.55) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL14338225 0.85 SMN1; SMN2 (0.60) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL5638541 0.85 MAPT (0.54) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL12327030 0.84 MAPT (0.60) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL9820079 0.83 HPSE (0.72) MAPTTP53SMN1; SMN2KDM4EHPSE
SCHEMBL13254495 0.82 KDM4E (0.59) MAPTTP53SMN1; SMN2RAB9ANPC1
Methane SCHEMBL506232 0.82 HPSE (0.70) MAPTTP53SMN1; SMN2KDM4EHPSE
SCHEMBL16399128 0.82 VSIR (0.53) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL4032655 0.80 ESR1 (0.81) MAPTTP53SMN1; SMN2RAB9ANPC1

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
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 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-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD MAPT 4652/4885TP53 2140/4885SMN1; SMN2 4864/4885

“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.