SCHEMBL6061081

SCHEMBL6061081

CC(C)(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccccn2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.58
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 3/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
CNR1 P21554 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR3 Q99500 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL5545514 0.89 GRIN1 (0.44) CNR2ALDH1A1LMNATSHRKDM4E
SCHEMBL5546991 0.87 CNR2 (0.51) CNR2L3MBTL1CNR1MEN1KMT2A
SCHEMBL5546547 0.86 ALDH1A1 (0.43) CNR2ALDH1A1LMNATSHRKDM4E
SCHEMBL5538720 0.86 CNR2 (0.43) CNR2ALDH1A1LMNATSHRKDM4E
SCHEMBL5538864 0.85 CNR2 (0.54) CNR2L3MBTL1HTTCNR1MEN1
SCHEMBL5545455 0.85 ALDH1A1 (0.46) CNR2ALDH1A1LMNATSHRKDM4E
SCHEMBL5547322 0.84 ALDH1A1 (0.43) CNR2ALDH1A1LMNATSHRKDM4E
SCHEMBL15163625 0.83 CNR2 (0.53) CNR2ALDH1A1LMNATSHRKDM4E
SCHEMBL5545619 0.83 CNR2 (0.52) CNR2L3MBTL1GRIN1GRIN2BCNR1
SCHEMBL5547219 0.83 CNR2 (0.52) CNR2KDM4EL3MBTL1HTTCNR1

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 5 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
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 3954/4885ALDH1A1 3812/4885LMNA 3503/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885ALDH1A1 3073/4885LMNA 4134/4885

“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.