SCHEMBL5010800

SCHEMBL5010800

O=C(NCCCC1CCCCC1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HPGD P15428 2/20 0.42
KIT P10721 1/20 0.39
MAPK14 Q16539 1/20 0.39
SCN9A Q15858 2/20 0.37
ALPL P05186 1/20 0.36
MAPK11 Q15759 1/20 0.36

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 0.94 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL5008230 0.88 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HDAC6HPGD
SCHEMBL5008490 0.83 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL14587655 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDALPL
SCHEMBL5010564 0.78 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL14587733 0.78 NTRK1 (0.47) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5013494 0.76 NTRK1 (0.45) NPC1RAB9AHPGDALDH1A1CYP2C19
SCHEMBL5013474 0.76 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5008234 0.75 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL14587671 0.75 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2HDAC2HDAC8

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 4 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

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.