SCHEMBL5548593

SCHEMBL5548593

CC(C)OCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCNC(=O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
CNR2 P34972 2/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
HIF1A Q16665 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NAMPT P43490 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
SCHEMBL5545834 0.96 KMT2A (0.42) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL16010305 0.95 L3MBTL1 (0.39) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL5548089 0.94 L3MBTL1 (0.40) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL5545417 0.93 L3MBTL1 (0.43) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL5546654 0.92 L3MBTL1 (0.40) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL5546978 0.90 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1HIF1ALMNA
SCHEMBL5546756 0.90 KMT2A (0.42) L3MBTL1CNR2KMT2AMEN1LMNA
SCHEMBL5545553 0.89 KMT2A (0.48) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL16010302 0.89 L3MBTL1 (0.38) L3MBTL1CNR2KMT2AMEN1HIF1A
SCHEMBL16009659 0.88 L3MBTL1 (0.43) L3MBTL1CNR2KMT2AMEN1HIF1A

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.