SCHEMBL5538633

SCHEMBL5538633

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
ALOX12 P18054 1/20 0.36
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
CASP3 P42574 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
NPC1 O15118 1/20 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
SCHEMBL5543021 0.84 MAOB (0.41) MAOBPOLBMEN1KMT2AKDM4E
SCHEMBL5547377 0.82 KDM4E (0.38) MAOBPOLBMEN1KMT2AKDM4E
SCHEMBL5540690 0.79 MAOB (0.35) MAOBPOLBMEN1KMT2AKDM4E
SCHEMBL5545527 0.79 LMNA (0.39) MAOBPOLBMEN1KMT2AKDM4E
SCHEMBL5538554 0.78 PTGS2 (0.39) MAOBMEN1KMT2AKDM4EALDH1A1
SCHEMBL5546803 0.78 MAPT (0.35) MAOBPOLBMEN1KMT2AKDM4E
SCHEMBL5539179 0.77 MAOB (0.39) MAOBPOLBMEN1KMT2AKDM4E
SCHEMBL4585782 0.77 POLB (0.35) MAOBPOLBMEN1KMT2AKDM4E
SCHEMBL4714790 0.77 BRD4 (0.47) MAOBPOLBMEN1KMT2AKDM4E
SCHEMBL5004713 0.76 LMNA (0.44) MAOBPOLBMEN1KMT2AKDM4E

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 MAOB 3126/4885POLB 113/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MAOB 3594/4885POLB 115/4885MEN1 4837/4885

“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.