SCHEMBL5545912

SCHEMBL5545912

CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCCCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
MMP13 P45452 1/20 0.37
KMT2A Q03164 3/20 0.37
LTA4H P09960 9/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CCR6 P51684 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
UHRF1 Q96T88 1/20 0.35
PAX8 Q06710 1/20 0.35
GABRP O00591 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
SCHEMBL5546992 0.95 KMT2A (0.38) HDAC1MMP13KMT2ALTA4HLMNA
SCHEMBL5538658 0.81 LTA4H (0.37) HDAC1MMP13KMT2ALTA4HLMNA
SCHEMBL5540769 0.79 MEN1 (0.37) KMT2ALMNAKDM4ECCR6MEN1
SCHEMBL5540936 0.78 KCNQ3 (0.41) KMT2ALMNAKDM4ECCR6MEN1
SCHEMBL5538446 0.77 ALDH1A1 (0.40) KMT2ALTA4HLMNAKDM4ECCR6
SCHEMBL5545570 0.77 ALDH1A1 (0.43) KMT2ALMNAKDM4ECCR6MEN1
SCHEMBL4584162 0.77 PTGER4 (0.36) KMT2ALMNAKDM4ECCR6MEN1
SCHEMBL5004713 0.76 LMNA (0.44) KMT2ALMNAKDM4ECCR6MEN1
SCHEMBL5540554 0.75 LMNA (0.39) KMT2ALMNAKDM4ECCR6MEN1
SCHEMBL5546530 0.75 ALDH1A1 (0.45) KMT2ALMNAKDM4ECCR6MEN1

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 HDAC1 252/4885MMP13 4568/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 HDAC1 358/4885MMP13 4470/4885KMT2A 819/4885

“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.