SCHEMBL3765919

SCHEMBL3765919

O=C(O)Nc1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ MAPT P10636 1/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC7 Q8WUI4 3/20 0.50
▸ HDAC8 Q9BY41 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49

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
SCHEMBL5546929 0.85 HDAC1 (0.67) CA12CA1CA2CA9MAPT
SCHEMBL474941 0.84 HDAC1 (0.65) CA12CA1CA2CA9MAPT
SCHEMBL434636 0.83 CA12 (0.56) CA12CA1CA2CA9MAPT
SCHEMBL3549311 0.83 CA12 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL5549558 0.83 CA12 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL8755361 0.82 RAB9A (0.71) CA12CA1CA2CA9MAPT
SCHEMBL6521536 0.81 CA12 (0.58) CA12CA1CA2CA9MAPT
SCHEMBL13002990 0.81 MAPT (0.59) CA12CA1CA2CA9MAPT
SCHEMBL20870704 0.81 EPHX2 (0.70) CA12CA1CA2CA9MAPT
SCHEMBL490629 0.81 CA12 (0.58) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 — — US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 — — US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 — — EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 CA12 2458/4885CA1 294/4885CA2 545/4885

“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.

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