SCHEMBL5008490

SCHEMBL5008490

O=C(NC1CCCCC1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.67
RAB9A P51151 8/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HPGD P15428 4/20 0.57
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
GAA P10253 1/20 0.44
EPHX2 P34913 1/20 0.41
NTRK1 P04629 2/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL5012135 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5008230 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDNTRK1
SCHEMBL14587839 0.84 HPGD (0.48) NPC1RAB9ASMN1; SMN2HPGDNTRK1
SCHEMBL5010800 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL3455703 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDCA12
SCHEMBL5008234 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL3822963 0.80 PYGL (0.50) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL14587714 0.79 HPGD (0.59) NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5012133 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL14587835 0.78 TAS1R3 (0.48) NPC1RAB9AHPGDMEN1KMT2A

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.