SCHEMBL5538658

SCHEMBL5538658

CCOC(=O)CC(=O)N(CCN(C)C(=O)OCc1ccccc1)c1cc(Cc2ccc(F)cc2)cnc1C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.37
MAOB P27338 1/20 0.36
HDAC1 Q13547 1/20 0.36
MMP13 P45452 1/20 0.36
KMT2A Q03164 3/20 0.36
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35

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
SCHEMBL5546992 0.82 KMT2A (0.38) LTA4HHDAC1MMP13KMT2AGABRA1
SCHEMBL5545912 0.81 HDAC1 (0.37) LTA4HHDAC1MMP13KMT2AGABRA1
SCHEMBL5540690 0.80 MAOB (0.35) LTA4HMAOBKMT2AMEN1ALDH1A1
SCHEMBL5545489 0.80 ALDH1A1 (0.41) KMT2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL5547377 0.80 KDM4E (0.38) LTA4HMAOBKMT2AGABRG2GABRB3
SCHEMBL5546803 0.79 MAPT (0.35) LTA4HMAOBKMT2AMEN1ALDH1A1
SCHEMBL5539039 0.79 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL4585782 0.78 POLB (0.35) LTA4HMAOBKMT2AMEN1ALDH1A1
SCHEMBL5540997 0.77 PDE3B (0.35) MAOBKMT2AGABRA1GABRG2GABRB3
SCHEMBL5543021 0.77 MAOB (0.41) LTA4HMAOBKMT2AMEN1ALDH1A1

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 LTA4H 4261/4885MAOB 3126/4885HDAC1 252/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 LTA4H 3919/4885MAOB 3594/4885HDAC1 358/4885

“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.