SCHEMBL5010845

SCHEMBL5010845

O=C(NC(c1ccccc1)c1ccccc1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PYGL P06737 2/20 0.40
PPARG P37231 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR3 Q99500 1/20 0.38
LMNA P02545 1/20 0.38
GPR27 Q9NS67 1/20 0.38
HPGDS O60760 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL14587701 0.89 BDKRB1 (0.48) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL14587700 0.89 BDKRB1 (0.48) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL14587724 0.88 DCAF1 (0.43) NPC1RAB9A
SCHEMBL14587725 0.88 DCAF1 (0.43) NPC1RAB9A
SCHEMBL14587644 0.87 NPC1 (0.41) ALDH1A1HTTNPC1RAB9AKMT2A
SCHEMBL14587720 0.86 BDKRB1 (0.52) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL14587719 0.86 BDKRB1 (0.52) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL5012183 0.85 NPC1 (0.55) ALDH1A1HTTNPC1RAB9AKMT2A
SCHEMBL3822963 0.81 PYGL (0.50) ALDH1A1HTTNPC1RAB9AKMT2A
SCHEMBL14587704 0.81 NTRK1 (0.45) NPC1RAB9AKMT2AMEN1MAPT

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 ALDH1A1 1278/4885HTT 4237/4885NPC1 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.