SCHEMBL5546738

SCHEMBL5546738

CC(C)(CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HIF1A Q16665 2/20 0.36
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
USP2 O75604 3/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALOX12 P18054 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR2 O60603 1/20 0.34

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
SCHEMBL5540851 0.91 L3MBTL1 (0.41) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5543114 0.91 POLB (0.45) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5538864 0.89 CNR2 (0.54) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL16991725 0.89 CNR2 (0.46) CNR2L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5546754 0.89 L3MBTL1 (0.40) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5545885 0.88 L3MBTL1 (0.39) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5545303 0.88 MEN1 (0.43) CNR2L3MBTL1MEN1KMT2AHTT
SCHEMBL5538971 0.87 L3MBTL1 (0.41) CNR2L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5541242 0.87 L3MBTL1 (0.41) CNR2L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5538571 0.86 L3MBTL1 (0.40) CNR2L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (2 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 CNR2 3954/4885L3MBTL1 1411/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885L3MBTL1 1408/4885MEN1 4837/4885

“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.