SCHEMBL5009908

SCHEMBL5009908

CC(C)OCCN(C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SLC6A9 P48067 3/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A5 Q9Y345 2/20 0.34
CYP2C19 P33261 1/20 0.34
ENPP2 Q13822 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL5012119 0.91 NPC1 (0.42) PYGLSMN1; SMN2NPC1RAB9ASLC6A9
SCHEMBL5008403 0.91 NPC1 (0.40) PYGLSMN1; SMN2NPC1RAB9ASLC6A9
SCHEMBL5009826 0.89 NPC1 (0.40) PYGLSMN1; SMN2NPC1RAB9ASLC6A9
SCHEMBL5010544 0.89 NPC1 (0.41) PYGLSMN1; SMN2NPC1RAB9ASLC6A9
SCHEMBL5010912 0.88 NPC1 (0.39) PYGLSMN1; SMN2NPC1RAB9ASLC6A9
SCHEMBL5010796 0.88 NPC1 (0.43) PYGLSMN1; SMN2NPC1RAB9ASLC6A9
SCHEMBL5013507 0.87 SMN1; SMN2 (0.43) PYGLSMN1; SMN2NPC1RAB9ASLC6A9
SCHEMBL14587651 0.87 NPC1 (0.39) PYGLSMN1; SMN2NPC1RAB9ASLC6A9
SCHEMBL5009754 0.86 NPC1 (0.42) PYGLSMN1; SMN2NPC1RAB9ASLC6A9
SCHEMBL5012133 0.86 NPC1 (0.45) SMN1; SMN2NPC1RAB9ASLC6A9HTT

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 PYGL 1/4885SMN1; SMN2 4705/4885NPC1 2838/4885

“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.