SCHEMBL2837210

SCHEMBL2837210

N#Cc1cc(Br)c2oc(-c3ccc(C(=O)O)cc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.50
ESR2 Q92731 4/20 0.50
ESR1 P03372 3/20 0.50
HDAC6 Q9UBN7 2/20 0.50
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.44
CEPT1 Q9Y6K0 3/20 0.43

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
SCHEMBL2840161 0.86 MAPT (0.51) CETPESR2ESR1HDAC6NPC1
SCHEMBL3807420 0.85 CETP (0.64) CETPCEPT1
SCHEMBL3679844 0.84 CETP (0.63) CETPCEPT1
SCHEMBL3691966 0.82 CETP (0.50) CETPESR2ESR1HDAC6XDH
SCHEMBL2836341 0.82 CETP (0.58) CETPESR2ESR1
SCHEMBL1733969 0.82 ESR2 (0.51) CETPESR2ESR1HDAC6NPC1
SCHEMBL13204422 0.81 ESR2 (0.48) CETPESR2ESR1HDAC6CEPT1
SCHEMBL3681612 0.81 ESR2 (0.55) CETPESR2ESR1HDAC6NPC1
SCHEMBL3683385 0.81 CETP (0.57) CETPESR2ESR1
SCHEMBL1736298 0.80 CEPT1 (0.56) CETPCEPT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170059-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
EP-2166847-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
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-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
EP-2170059-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
EP-2170058-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
EP-2166847-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156715-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156717-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156718-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 (3 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-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CETP 1/4885ESR2 943/4885ESR1 2356/4885
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CETP 1/4885ESR2 1618/4885ESR1 3416/4885
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CETP 1/4885ESR2 943/4885ESR1 2356/4885

“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.