SCHEMBL5009754

SCHEMBL5009754

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
HSD11B1 P28845 2/20 0.40
SLC6A9 P48067 4/20 0.40
PYGL P06737 1/20 0.38
HPGD P15428 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
SLC6A5 Q9Y345 3/20 0.35
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 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
SCHEMBL5010796 0.95 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HTTRECQL
SCHEMBL5010424 0.92 ENPP2 (0.42) NPC1RAB9ASMN1; SMN2HTTRECQL
SCHEMBL5010544 0.92 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HTTRECQL
SCHEMBL5008205 0.92 HTT (0.41) NPC1RAB9ASMN1; SMN2HTTRECQL
SCHEMBL14587651 0.91 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTRECQL
SCHEMBL5009775 0.91 HTT (0.40) NPC1RAB9ASMN1; SMN2HTTRECQL
SCHEMBL5012133 0.91 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTRECQL
SCHEMBL5013415 0.91 HTT (0.39) NPC1RAB9ASMN1; SMN2HTTRECQL
SCHEMBL5013507 0.90 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2SLC6A9PYGL
SCHEMBL5010912 0.90 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTRECQL

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 2748/4885SMN1; SMN2 4705/4885

“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.