SCHEMBL5013474

SCHEMBL5013474

O=C(NCCc1ccccc1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
PPARG P37231 2/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 3/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL5010564 0.94 NPC1 (0.49) NPC1RAB9APPARGALDH1A1SMN1; SMN2
SCHEMBL14587671 0.91 SMN1; SMN2 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL5010405 0.89 PPARG (0.59) NPC1RAB9APPARGALDH1A1
SCHEMBL14587667 0.89 ATM (0.47) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL14587666 0.86 ALDH1A1 (0.57) NPC1RAB9APPARGALDH1A1SMN1; SMN2
SCHEMBL14587707 0.84 PPARG (0.51) NPC1RAB9APPARGALDH1A1
SCHEMBL5012183 0.83 NPC1 (0.55) NPC1RAB9APPARGALDH1A1MAPT
SCHEMBL5012134 0.82 PPARG (0.48) NPC1PPARGALDH1A1HPGDLMNA
SCHEMBL5013675 0.82 PPARG (0.48) PPARGALDH1A1MAPT
SCHEMBL5008526 0.82 PPARG (0.45) NPC1RAB9APPARGALDH1A1SMN1; SMN2

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 2748/4885PPARG 706/4885

“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.