SCHEMBL1734848

SCHEMBL1734848

N#Cc1ccc2oc(-c3ccc(NC(=O)C4CCCCO4)cc3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.70
HPGD P15428 7/20 0.70
SMN1; SMN2 Q16637 7/20 0.70
ALDH1A1 P00352 6/20 0.70
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
MAPT P10636 2/20 0.70
HSD17B10 Q99714 4/20 0.66
TP53 P04637 2/20 0.66
CETP P11597 13/20 0.65
STAT3 P40763 1/20 0.59
STAT1 P42224 1/20 0.59
USP2 O75604 2/20 0.58
MAPK1 P28482 1/20 0.57
AHR P35869 1/20 0.57
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL12153069 0.85 HPGD (0.74) KDM4EHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL16384057 0.83 SMN1; SMN2 (0.80) KDM4EHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL16384045 0.80 HPGD (1.00) KDM4EHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL1734095 0.78 CETP (0.53) KDM4EHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL1734706 0.77 CETP (1.00) CETP
SCHEMBL1733867 0.76 CETP (0.73) CETP
SCHEMBL14769379 0.74 HPGD (1.00) KDM4EHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL1734709 0.74 CETP (0.69) CETP
SCHEMBL1735980 0.72 CETP (0.62) CETP
SCHEMBL16151090 0.71 HDAC6 (0.68) CETP

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
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
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

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 KDM4E 3316/4885HPGD 2024/4885SMN1; SMN2 4780/4885

“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.