SCHEMBL14587729

SCHEMBL14587729

COc1ccccc1N(C)C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
MAPT P10636 3/20 0.47
PYGL P06737 4/20 0.42
GPBAR1 Q8TDU6 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.40
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 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
SCHEMBL5009797 0.84 NPC1 (0.44) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL14587728 0.83 MAPT (0.54) RAB9ANPC1MAPTPYGLALDH1A1
SCHEMBL14301501 0.80 NPC1 (0.41) RAB9ANPC1MAPTPYGLGPBAR1
SCHEMBL5012144 0.79 PPARG (0.52) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL5009724 0.79 HSP90AA1 (0.45) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL5010609 0.78 NPC1 (0.48) RAB9ANPC1MAPTPYGLALDH1A1
SCHEMBL14297710 0.78 CYP2C19 (0.41) RAB9ANPC1MAPTPYGLALDH1A1
SCHEMBL14587698 0.77 CYP2C19 (0.39) RAB9ANPC1MAPTPYGLALDH1A1
SCHEMBL14587611 0.77 HTT (0.42) RAB9ANPC1MAPTPYGLALDH1A1
SCHEMBL5010442 0.77 NPC1 (0.49) RAB9ANPC1MAPTPYGLHPGD

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 RAB9A 2748/4885NPC1 2838/4885MAPT 4621/4885

“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.