SCHEMBL5010564

SCHEMBL5010564

O=C(NCCCc1ccccc1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 6/20 0.49
POLB P06746 1/20 0.46
PPARG P37231 2/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
NTRK1 P04629 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NLRP1 Q9C000 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
SCHEMBL5013474 0.94 NPC1 (0.47) NPC1RAB9APPARGALDH1A1HPGD
SCHEMBL5010405 0.88 PPARG (0.59) NPC1RAB9APPARGALDH1A1NTRK1
SCHEMBL14587671 0.85 SMN1; SMN2 (0.48) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL14587667 0.83 ATM (0.47) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5008526 0.82 PPARG (0.45) NPC1RAB9APPARGALDH1A1TDP1
SCHEMBL14587666 0.82 ALDH1A1 (0.57) NPC1RAB9APOLBPPARGALDH1A1
SCHEMBL14587707 0.82 PPARG (0.51) NPC1RAB9APPARGALDH1A1NTRK1
SCHEMBL5012183 0.82 NPC1 (0.55) NPC1RAB9APPARGALDH1A1TDP1
SCHEMBL5012134 0.81 PPARG (0.48) NPC1PPARGALDH1A1HPGD
SCHEMBL5013675 0.81 PPARG (0.48) PPARGALDH1A1MAPT

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 2748/4885POLB 3038/4885

“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.