SCHEMBL1736002

SCHEMBL1736002

O=C(CBr)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.74
SENP7 Q9BQF6 3/20 0.72
NPC1 O15118 1/20 0.72
POLB P06746 1/20 0.72
RAB9A P51151 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
PARP3 Q9Y6F1 2/20 0.72
CETP P11597 11/20 0.71
SENP8 Q96LD8 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
MAPT P10636 3/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
TP53 P04637 1/20 0.65
CEPT1 Q9Y6K0 1/20 0.64

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
SCHEMBL2245090 0.84 CASP3 (1.00) CASP3SENP7NPC1POLBRAB9A
SCHEMBL4531895 0.83 CETP (1.00) CASP3SENP7NPC1POLBRAB9A
SCHEMBL1733867 0.83 CETP (0.73) CETPCEPT1
SCHEMBL23748364 0.81 CASP3 (0.72) CASP3SENP7NPC1POLBRAB9A
SCHEMBL2245760 0.81 CASP3 (1.00) CASP3SENP7NPC1POLBRAB9A
SCHEMBL2242846 0.81 CASP3 (1.00) CASP3SENP7NPC1POLBRAB9A
SCHEMBL23748380 0.80 CASP3 (0.71) CASP3SENP7NPC1POLBRAB9A
SCHEMBL24454941 0.80 CASP3 (0.85) CASP3SENP7NPC1POLBRAB9A
SCHEMBL31285565 0.80 CASP3 (0.85) CASP3SENP7NPC1POLBRAB9A
SCHEMBL10016457 0.80 CETP (1.00) POLBTDP1CETPMAPTSMN1; SMN2

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 14 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
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
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US 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
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
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 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
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 CASP3 2727/4885SENP7 280/4885NPC1 6/4885

“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.