SCHEMBL5010609

SCHEMBL5010609

COc1cccc(OC)c1CNC(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 1/20 0.48
ROCK2 O75116 5/20 0.45
ROCK1 Q13464 5/20 0.45
PYGL P06737 3/20 0.45
NTRK1 P04629 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EZH2 Q15910 1/20 0.42
MAPK1 P28482 5/20 0.42
PPARG P37231 1/20 0.40

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
SCHEMBL14587741 0.90 NPC1 (0.46) NPC1RAB9AMAPTROCK2ROCK1
SCHEMBL5012144 0.90 PPARG (0.52) NPC1RAB9AMAPTNTRK1HPGD
SCHEMBL5013605 0.89 NPC1 (0.45) NPC1RAB9AMAPTROCK2ROCK1
SCHEMBL5013482 0.89 PPARG (0.44) NPC1RAB9AROCK2ROCK1PYGL
SCHEMBL5010360 0.88 PPARG (0.43) NPC1RAB9AROCK2ROCK1PYGL
SCHEMBL5012281 0.87 PPARG (0.47) NPC1RAB9AMAPTNTRK1ALDH1A1
SCHEMBL5012109 0.86 P2RX7 (0.47) NPC1RAB9AROCK2ROCK1HPGD
SCHEMBL5010595 0.86 LMNA (0.50) NPC1RAB9AMAPTPYGLSMN1; SMN2
SCHEMBL5010592 0.85 MAPT (0.51) RAB9AMAPTROCK2ROCK1HPGD
SCHEMBL14587689 0.84 NPC1 (0.46) NPC1RAB9AMAPTROCK2ROCK1

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 NPC1 2838/4885RAB9A 2748/4885MAPT 4621/4885

“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.