SCHEMBL5547071

SCHEMBL5547071

CC(C)CNC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
RXFP1 Q9HBX9 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.42
KDM5A P29375 3/20 0.41
USP2 O75604 1/20 0.40
ACHE P22303 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
USP1 O94782 1/20 0.39

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
SCHEMBL5547305 0.90 TDP1 (0.48) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL5545679 0.86 MEN1 (0.64) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL5546762 0.85 MEN1 (0.48) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL5546807 0.85 KMT2A (0.61) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL5545845 0.85 MEN1 (0.50) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL5541006 0.83 TDP1 (0.47) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL5546882 0.83 TDP1 (0.47) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL5543155 0.83 TDP1 (0.47) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL5538990 0.83 ACHE (0.55) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL14065345 0.83 GRIN2D (0.44) KMT2AMEN1RXFP1RAB9ANPC1

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 19 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 claimed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP claimed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO claimed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
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
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP 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
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 (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 KMT2A 502/4885MEN1 4802/4885RXFP1 4660/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KMT2A 819/4885MEN1 4837/4885RXFP1 4715/4885

“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.