SCHEMBL5638541

SCHEMBL5638541

OCc1ccc2oc(-c3cccc(F)c3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
HPGD P15428 4/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
UTRN P46939 2/20 0.54
VSIR Q9H7M9 1/20 0.53
GLA P06280 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HPN P05981 1/20 0.52
PDE10A Q9Y233 1/20 0.51
TSHR P16473 1/20 0.50
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 1/20 0.47
PTPN1 P18031 1/20 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
SCHEMBL16399128 0.89 VSIR (0.53) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL5639728 0.86 MAPT (0.54) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL5641397 0.85 MAPT (0.55) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL14338225 0.84 SMN1; SMN2 (0.60) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL27672723 0.79 RAB9A (0.70) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL2246990 0.79 NPC1 (0.70) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL26686764 0.79 NPC1 (0.64) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL30401752 0.78 TSHR (0.80) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL17541563 0.78 TSHR (0.80) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL25415584 0.78 HSPD1 (0.57) MAPTKDM4EALDH1A1NPC1RAB9A

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 4652/4885KDM4E 2473/4885ALDH1A1 1771/4885

“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.