SCHEMBL5548080

SCHEMBL5548080

O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(O)CO)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
CNR2 P34972 8/20 0.37
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR52 Q9Y2T5 1/20 0.36
TSHR P16473 2/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MMP9 P14780 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CNR1 P21554 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EGLN1 Q9GZT9 1/20 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
SCHEMBL5541094 0.92 L3MBTL1 (0.40) L3MBTL1CNR2KDM4EMEN1KMT2A
SCHEMBL15163642 0.90 ALDH1A1 (0.44) L3MBTL1CNR2KDM4EMEN1KMT2A
SCHEMBL5546863 0.90 CNR2 (0.41) L3MBTL1CNR2MEN1KMT2ATSHR
SCHEMBL5539033 0.88 L3MBTL1 (0.43) L3MBTL1CNR2KDM4EMEN1KMT2A
SCHEMBL5546779 0.88 L3MBTL1 (0.53) L3MBTL1KDM4EMEN1KMT2AGPR52
SCHEMBL5545559 0.87 L3MBTL1 (0.41) L3MBTL1CNR2KDM4EMEN1KMT2A
SCHEMBL5538628 0.86 L3MBTL1 (0.41) L3MBTL1CNR2KDM4EMEN1KMT2A
SCHEMBL5543218 0.86 L3MBTL1 (0.41) L3MBTL1CNR2KDM4EMEN1KMT2A
SCHEMBL16009659 0.86 L3MBTL1 (0.43) L3MBTL1CNR2KDM4EMEN1KMT2A
SCHEMBL5133120 0.86 L3MBTL1 (0.41) L3MBTL1CNR2KDM4EMEN1KMT2A

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 3954/4885KDM4E 1268/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885CNR2 4810/4885KDM4E 1255/4885

“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.