SCHEMBL5008451

SCHEMBL5008451

COc1ccc(CNC(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)[nH]n2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
RECQL P46063 1/20 0.42
MAOB P27338 1/20 0.42
ROCK2 O75116 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL5012144 0.89 PPARG (0.52) ALDH1A1NPSR1MAPTNPC1RAB9A
SCHEMBL5008275 0.87 MAPT (0.48) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL14299384 0.85 ALDH1A1 (0.44) ALDH1A1TSHRNPSR1MAPTNPC1
SCHEMBL5013605 0.85 NPC1 (0.45) ALDH1A1NPSR1MAPTNPC1RAB9A
SCHEMBL5010592 0.84 MAPT (0.51) ALDH1A1MAPTRAB9AHTTHPGD
SCHEMBL14587684 0.84 NPC1 (0.44) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL5010609 0.84 NPC1 (0.48) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL5012069 0.84 WDR5 (0.44) MAPTNPC1RAB9AHTTRECQL
SCHEMBL14587735 0.84 NTRK1 (0.54) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL5010595 0.83 LMNA (0.50) ALDH1A1MAPTNPC1RAB9AHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL ALDH1A1 1278/4885TSHR 1758/4885NPSR1 3984/4885

“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.