SCHEMBL3640600

SCHEMBL3640600

N#Cc1cc(N)c(O)c(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
TTR P02766 2/20 0.36
ALB P02768 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
PGR P06401 1/20 0.32
SLC22A12 Q96S37 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.30
ACLY P53396 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL17744575 0.77 TTR (0.44) TTRALBMEN1KMT2A
SCHEMBL224235 0.76 HRH4 (0.49) HRH4TRPA1SCN5ASCN9ABACE2
SCHEMBL2312436 0.76 HRH4 (0.43) HRH4TRPA1SCN5ASCN9APGR
SCHEMBL17914246 0.75 TTR (0.52) TTRALBMEN1KMT2A
SCHEMBL3647954 0.74 VCAM1 (0.47) MEN1KMT2A
SCHEMBL1734099 0.74 TRPV4 (0.42) TTRALBMEN1KMT2APGR
SCHEMBL3644863 0.72 APP (0.44) HRH4TRPA1SCN5ASCN9A
SCHEMBL24910003 0.71 KDM4E (0.38) SCN9AACLY
SCHEMBL3009450 0.71 TTR (0.43) TTRALBMEN1KMT2A
SCHEMBL4911777 0.68 KIF11 (0.46) HRH4MEN1KMT2ATRPA1SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170058-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2013-07-03 EP disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
EP-2170058-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156715-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO 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-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP HRH4 1666/4885TTR 499/4885ALB 1707/4885

“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.