SCHEMBL5547225

SCHEMBL5547225

CC(C)OCCN.CC(C)OCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN(C)C(=O)O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 2/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
TLR2 O60603 2/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5547444 0.94 KMT2A (0.37) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL16010302 0.92 L3MBTL1 (0.38) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL5546654 0.90 L3MBTL1 (0.40) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL16010078 0.90 L3MBTL1 (0.36) L3MBTL1CNR2KMT2AMEN1TLR2
Propylamine SCHEMBL5546750 0.89 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1POLBALDH1A1
Monoethanolamine SCHEMBL5546461 0.89 L3MBTL1 (0.39) L3MBTL1CNR2KMT2AMEN1TLR2
SCHEMBL5541144 0.88 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1HIF1APOLB
SCHEMBL15163566 0.87 L3MBTL1 (0.38) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL5548593 0.87 L3MBTL1 (0.41) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL15163678 0.87 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1POLBALDH1A1

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 4 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

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 L3MBTL1 1411/4885CNR2 3954/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885CNR2 4810/4885KMT2A 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.