SCHEMBL5010416

SCHEMBL5010416

Cc1cc(F)c(F)cc1C(=O)Nc1cc(C(=O)N(C)c2ccc(C(=O)O)cc2)n[nH]1.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
STING1 Q86WV6 3/20 0.32
MMP10 P09238 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
P4HTM Q9NXG6 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
F10 P00742 1/20 0.32
GPR27 Q9NS67 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL14587850 0.99 HTT (0.34) HTTALDH1A1STING1MMP10MMP9
SCHEMBL5010646 0.91 CYP2C19 (0.41) HTTALDH1A1NPC1RAB9A
SCHEMBL14297710 0.90 CYP2C19 (0.41) HTTALDH1A1NPC1RAB9A
SCHEMBL5010419 0.89 CYP2C19 (0.32) F10GPR27NPC1RAB9A
SCHEMBL5012083 0.83 PRSS12 (0.31)
SCHEMBL3825349 0.81 HCAR2 (0.44) STING1P4HTMGPR27NPC1RAB9A
SCHEMBL5009797 0.81 NPC1 (0.44) HTTALDH1A1NPC1RAB9A
SCHEMBL5010648 0.80 CYP2C19 (0.42) HTTALDH1A1NPC1RAB9A
SCHEMBL14301501 0.80 NPC1 (0.41) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14587698 0.80 CYP2C19 (0.39) HTTALDH1A1NPC1RAB9A

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 HTT 4237/4885ALDH1A1 1278/4885STING1 4745/4885

“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.