SCHEMBL5013480

SCHEMBL5013480

COC(=O)COc1ccccc1CNC(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARG P37231 3/20 0.43
MAPK8 P45983 1/20 0.41
MAPT P10636 1/20 0.40
NTRK1 P04629 6/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
PTGES O14684 1/20 0.38

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
SCHEMBL5132983 0.91 AKR1B1 (0.46) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL5012144 0.91 PPARG (0.52) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL5010568 0.85 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL5008267 0.85 PPARG (0.45) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL5013605 0.85 NPC1 (0.45) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL5010356 0.84 PPARG (0.50) NPC1RAB9AHPGDALDH1A1PPARG
SCHEMBL5009713 0.83 NTRK1 (0.44) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL14587730 0.83 MAPK8 (0.46) NPC1RAB9AALDH1A1PPARGMAPK8
SCHEMBL5010609 0.83 NPC1 (0.48) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL5008451 0.82 ALDH1A1 (0.49) NPC1RAB9AHPGDALDH1A1PPARG

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 2748/4885HPGD 3765/4885

“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.