SCHEMBL5545862

SCHEMBL5545862

CN(C)C(=O)NCCn1c(=O)c(C(=O)NCCOCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HIF1A Q16665 1/20 0.35
POLB P06746 1/20 0.34
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
TLR2 O60603 2/20 0.33

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
SCHEMBL5538529 0.93 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AHIF1APOLB
SCHEMBL5539014 0.92 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AHIF1APOLB
SCHEMBL5540796 0.92 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AHIF1APOLB
SCHEMBL5538429 0.92 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AHIF1APOLB
SCHEMBL5538539 0.90 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AHIF1ACNR2
SCHEMBL15163566 0.90 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AHIF1APOLB
SCHEMBL5546739 0.90 L3MBTL1 (0.38) L3MBTL1MEN1KMT2APOLBKDM4E
SCHEMBL5547047 0.89 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AHIF1APOLB
SCHEMBL5545784 0.89 L3MBTL1 (0.37) L3MBTL1MEN1KMT2AHIF1APOLB
SCHEMBL15163568 0.87 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AHIF1APOLB

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 1411/4885MEN1 4802/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885MEN1 4837/4885KMT2A 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.