SCHEMBL1734833

SCHEMBL1734833

Cc1cc(Br)cc2nc(-c3ccc([N+](=O)[O-])cc3)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.56
MMP9 P14780 4/20 0.56
MMP8 P22894 4/20 0.56
MMP13 P45452 4/20 0.56
CEPT1 Q9Y6K0 1/20 0.48
MAPT P10636 9/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MCL1 Q07820 1/20 0.47
ATM Q13315 1/20 0.47
PTGES O14684 1/20 0.47
GUSB P08236 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 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
SCHEMBL1733864 0.80 NPC1 (0.53) CEPT1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1735515 0.74 MMP2 (0.48) MMP2MMP9MMP8MMP13MAPT
SCHEMBL25337476 0.74 MMP2 (0.55) MMP2MMP9MMP8MMP13MAPT
SCHEMBL1735101 0.72 CEPT1 (0.70) CEPT1MAPTSMN1; SMN2CETP
SCHEMBL2244223 0.72 MMP2 (1.00) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4146732 0.72 RAB9A (0.76) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4153246 0.72 RAB9A (0.75) MMP2MMP9MMP8MMP13CEPT1
SCHEMBL13676772 0.71 MMP2 (0.52) MMP2MMP9MMP8MMP13MAPT
SCHEMBL7908000 0.71 RAB9A (0.84) MMP2MMP9MMP8MMP13MAPT
SCHEMBL10943282 0.71 RAB9A (0.83) MMP2MMP9MMP8MMP13CEPT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 MMP2 1080/4885MMP9 1593/4885MMP8 1700/4885

“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.