SCHEMBL5545776

SCHEMBL5545776

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(F)(F)F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ALOX5 P09917 1/20 0.38
METAP2 P50579 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
CCR6 P51684 1/20 0.37
KMT2A Q03164 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL5545287 0.91 KDM4E (0.52) KDM4EMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL5545582 0.87 KDM4E (0.41) KDM4EMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL5545282 0.87 KDM4E (0.55) KDM4EMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL5538837 0.87 KDM4E (0.41) KDM4EMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL4584171 0.86 GRIN2B (0.41) KDM4EMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL5547343 0.86 KDM4E (0.47) KDM4EMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL5545311 0.86 KDM4E (0.41) KDM4EMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL5541088 0.86 KDM4E (0.47) KDM4EMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL5541141 0.86 GAA (0.45) KDM4EMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL4714636 0.86 ALDH1A1 (0.51) KDM4EMAPTPKMALDH1A1SMN1; SMN2

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 6 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 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
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 KDM4E 1268/4885MAPT 2173/4885PKM 4132/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885MAPT 949/4885PKM 4051/4885

“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.