SCHEMBL342864

SCHEMBL342864

O=C(O)c1cc(Cc2ccc(F)cc2)cnc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
KLKB1 P03952 1/20 0.44
CTSB P07858 1/20 0.44
MMP9 P14780 1/20 0.44
DNMT1 P26358 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
DNMT3L Q9UJW3 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
HNF4A P41235 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CDC25B P30305 1/20 0.42
CASP6 P55212 1/20 0.42
RCE1 Q9Y256 1/20 0.42
BRS3 P32247 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL4714308 0.89 KLKB1 (0.40) KMT2AKLKB1CTSBMMP9DNMT1
SCHEMBL13850877 0.86 HNF4A (0.54) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL5004727 0.84 KDM4E (0.44) KMT2AALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL344039 0.83 NPSR1 (0.48) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL12418469 0.80 XDH (0.46) KMT2AP4HTML3MBTL1LMNAMAPK1
SCHEMBL4714781 0.79 P4HTM (0.45) KMT2AALDH1A1P4HTMMAPK1
SCHEMBL19326049 0.78 IDO1 (0.41) KMT2AP4HTML3MBTL1LMNAMAPK1
SCHEMBL19321044 0.78 NR4A2 (0.39) KMT2AALDH1A1P4HTML3MBTL1LMNA
SCHEMBL3891640 0.78 EGLN2 (0.38) KMT2AP4HTML3MBTL1LMNAMAPK1
SCHEMBL12378242 0.77 MAPT (0.48) KMT2AALDH1A1L3MBTL1LMNAMAPK1

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 32 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-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-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-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 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
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
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 (4 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 502/4885KLKB1 4464/4885CTSB 2361/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KMT2A 819/4885KLKB1 3171/4885CTSB 2141/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 KMT2A 1762/4885KLKB1 2600/4885CTSB 2690/4885
US-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS KMT2A 1657/4885KLKB1 2146/4885CTSB 1373/4885

“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.