SCHEMBL4585740

SCHEMBL4585740

O=c1[nH]cc(Cc2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
DAO P14920 3/20 0.46
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
HSPB1 P04792 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL27667117 0.77 ERCC1 (0.57) KDM4EDAOATMTDP1LMNA
SCHEMBL3863268 0.76 KDM4E (0.61) KDM4EATMTDP1LMNAMAPT
SCHEMBL15579011 0.75 DAO (0.77) DAOERCC1ERCC4
SCHEMBL10365876 0.75 ALDH1A1 (0.44) KDM4EDAOTDP1L3MBTL1MEN1
SCHEMBL20945207 0.74 KDM4E (0.61) KDM4EDAOLMNAMAPTRAB9A
SCHEMBL16020926 0.70 MAPT (0.42) DAOLMNAMAPTALDH1A1HTT
SCHEMBL1644518 0.70 POLB (0.63) KDM4ETDP1LMNAL3MBTL1MEN1
SCHEMBL4584917 0.70 TDP1 (0.39) ATMTDP1LMNAL3MBTL1MEN1
SCHEMBL28195339 0.69 SMN1; SMN2 (0.46) KDM4EATMTDP1LMNAL3MBTL1
SCHEMBL28195400 0.69 NOS1 (0.49) MEN1KMT2A

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 25 patents — showing the first 20. 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-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-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1910356-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 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
WO-2007019101-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007019101-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007019100-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007019100-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO 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 (3 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 KDM4E 1268/4885DAO 1228/4885ATM 1983/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885DAO 1741/4885ATM 421/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 KDM4E 2653/4885DAO 1433/4885ATM 229/4885

“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.