SCHEMBL5548040

SCHEMBL5548040

COCC(C)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCNC(C)=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DGAT2 Q96PD7 1/20 0.35
PLK1 P53350 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16009542 0.94 CNR2 (0.41) CNR2L3MBTL1MEN1KMT2ADGAT2
SCHEMBL5545723 0.92 CNR2 (0.40) CNR2L3MBTL1MEN1KMT2ADGAT2
SCHEMBL5547213 0.91 CNR2 (0.43) CNR2L3MBTL1MEN1KMT2APLK1
SCHEMBL5546845 0.91 L3MBTL1 (0.41) CNR2L3MBTL1MEN1KMT2APLK1
SCHEMBL5541238 0.91 CNR2 (0.42) CNR2L3MBTL1MEN1KMT2ADGAT2
SCHEMBL16009908 0.90 CNR2 (0.40) CNR2L3MBTL1MEN1KMT2ADGAT2
SCHEMBL5546638 0.90 CNR2 (0.40) CNR2L3MBTL1MEN1KMT2ADGAT2
SCHEMBL16009428 0.89 ALDH1A1 (0.38) CNR2MEN1KMT2ADGAT2ALDH1A1
SCHEMBL15163490 0.89 CNR2 (0.43) CNR2L3MBTL1MEN1KMT2ADGAT2
SCHEMBL15163511 0.88 CNR2 (0.44) CNR2MEN1KMT2ASMN1; SMN2CNR1

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.