SCHEMBL14587748

SCHEMBL14587748

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PYGL P06737 1/20 0.36
MAPT P10636 1/20 0.36
NTRK1 P04629 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
SCHEMBL14587756 0.91 ALDH1A1 (0.44) NPC1RAB9AALDH1A1KMT2ATDP1
SCHEMBL5008310 0.90 TP53 (0.46) NPC1RAB9AALDH1A1KMT2ATDP1
SCHEMBL14587645 0.90 NPC1 (0.42) NPC1RAB9AALDH1A1KMT2ATDP1
SCHEMBL5013487 0.90 PPARG (0.43) NPC1RAB9AALDH1A1KMT2ATDP1
SCHEMBL14587757 0.89 ALDH1A1 (0.47) NPC1RAB9AALDH1A1KMT2ATDP1
SCHEMBL5009840 0.89 NTRK1 (0.39) NPC1RAB9AALDH1A1KMT2ATDP1
SCHEMBL5010563 0.88 HTT (0.41) NPC1RAB9AALDH1A1KMT2ATDP1
SCHEMBL14587749 0.88 PRSS12 (0.41) NPC1RAB9AALDH1A1KMT2APPARG
SCHEMBL5008259 0.87 NR1H4 (0.41) NPC1RAB9AALDH1A1KMT2ATDP1
SCHEMBL14587759 0.87 HTT (0.40) NPC1RAB9AALDH1A1KMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2748/4885ALDH1A1 1278/4885

“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.