SCHEMBL1733840

SCHEMBL1733840

N#Cc1ccc2oc(-c3ccc(Br)cc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.60
CETP P11597 12/20 0.56
PTPN2 P17706 3/20 0.53
PTPN1 P18031 3/20 0.53
PTPN5 P54829 3/20 0.53
HSPD1 P10809 2/20 0.53
HSPE1 P61604 2/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
GFER P55789 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 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
SCHEMBL2427880 0.91 HDAC6 (0.63) HDAC6CETPPTPN2PTPN1PTPN5
SCHEMBL23150838 0.88 GPR119 (0.51) HDAC6CETPPTPN2PTPN1PTPN5
SCHEMBL1734880 0.85 NPC1 (0.69) HDAC6CETPPTPN2PTPN1PTPN5
SCHEMBL28868337 0.85 SMN1; SMN2 (0.60) HDAC6CETPPTPN2PTPN1PTPN5
SCHEMBL11384170 0.85 CETP (0.56) HDAC6CETPPTPN2PTPN1PTPN5
SCHEMBL31165942 0.84 PIK3CB (0.61) HDAC6CETPPTPN2PTPN1PTPN5
SCHEMBL11376267 0.84 HDAC6 (0.54) HDAC6CETPPTPN2PTPN1PTPN5
SCHEMBL10173054 0.82 HDAC6 (0.64) HDAC6PTPN2PTPN1PTPN5NPC1
SCHEMBL11642024 0.82 HDAC6 (0.56) HDAC6CETPPTPN2PTPN1PTPN5
SCHEMBL13067482 0.82 HDAC6 (0.56) HDAC6CETPPTPN2PTPN1PTPN5

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 10 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
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
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 HDAC6 843/4885CETP 1/4885PTPN2 3850/4885

“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.