SCHEMBL5543140

SCHEMBL5543140

CCOC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.51
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL5545344 0.87 KDM4E (0.46) KDM4ELMNAALDH1A1GAAMAPT
SCHEMBL5548663 0.84 ALDH1A1 (0.44) ARMEN1KMT2AKDM4ELMNA
SCHEMBL5538649 0.81 KDM4E (0.46) POLBKDM4ELMNAALDH1A1GAA
SCHEMBL5546712 0.81 CNR1 (0.52) ALDH1A1
SCHEMBL5540768 0.81 KDM4E (0.49) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL5547189 0.81 KDM4E (0.46) KDM4ELMNAALDH1A1GAAMAPT
SCHEMBL5545321 0.80 MAPT (0.44) POLBKDM4ELMNAALDH1A1MAPT
SCHEMBL5545287 0.80 KDM4E (0.52) MEN1KMT2AKDM4ELMNAPDE4B
SCHEMBL5545545 0.79 ALDH1A1 (0.46) MEN1POLBKMT2AKDM4ELMNA
SCHEMBL5545875 0.77 ALDH1A1 (0.48) POLBKDM4ELMNAALDH1A1GAA

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 14 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-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
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
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 AR 1804/4885MEN1 4802/4885POLB 113/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 AR 606/4885MEN1 4837/4885POLB 115/4885

“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.