SCHEMBL5546423

SCHEMBL5546423

NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
GRIN2D O15399 6/20 0.36
GRIN3B O60391 6/20 0.36
GRIN1 Q05586 6/20 0.36
GRIN2A Q12879 6/20 0.36
GRIN2B Q13224 6/20 0.36
GRIN2C Q14957 6/20 0.36
GRIN3A Q8TCU5 6/20 0.36
GRM2 Q14416 7/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MITF O75030 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
FYN P06241 1/20 0.35
GRK5 P34947 1/20 0.35
GSK3B P49841 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL5548065 0.87 KDM5A (0.49) TDP1MEN1KMT2AMITFPKM
SCHEMBL4761738 0.84 KDM5A (0.52) TDP1MEN1KMT2AKDM4E
SCHEMBL27666982 0.84 BTK (0.34) TDP1GRM2MEN1KMT2AKDM4E
SCHEMBL5538646 0.83 TDP1 (0.47) TDP1MEN1KMT2AMITFPKM
SCHEMBL5546951 0.83 TDP1 (0.41) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5546956 0.83 TDP1 (0.45) TDP1MEN1KMT2AMITFPKM
SCHEMBL16991714 0.83 GRIN2D (0.37) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27667063 0.82 GRM2 (0.34) TDP1GRM2FYNGRK5
SCHEMBL5545402 0.82 NPC1 (0.50) TDP1MEN1KMT2AGSK3B
SCHEMBL15163541 0.82 TDP1 (0.48) TDP1MEN1KMT2APKMGSK3B

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 20 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
CN-1976915-A HIV integrase inhibitors SMITHKLINE BEECHAM CORP (US) 2007-06-06 CN 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-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
CN-1976915-A HIV integrase inhibitors SMITHKLINE BEECHAM CORP (US) 2007-06-06 CN 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 TDP1 801/4885GRIN2D 1135/4885GRIN3B 1104/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TDP1 575/4885GRIN2D 4421/4885GRIN3B 3729/4885

“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.