SCHEMBL5548068

SCHEMBL5548068

O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CCNCC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 5/20 0.37
CNR1 P21554 1/20 0.37
TLR2 O60603 2/20 0.37
HIF1A Q16665 1/20 0.36
EGLN1 Q9GZT9 7/20 0.36
BRD4 O60885 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5540555 0.94 HIF1A (0.41) L3MBTL1CNR2CNR1TLR2HIF1A
SCHEMBL5546723 0.92 L3MBTL1 (0.38) FEN1L3MBTL1CNR2CNR1TLR2
SCHEMBL5545904 0.90 BRD4 (0.42) FEN1L3MBTL1CNR2CNR1TLR2
SCHEMBL5540584 0.89 CNR2 (0.47) CNR2CNR1
SCHEMBL5545322 0.86 CYP2C19 (0.43) KDM4EMEN1KMT2A
SCHEMBL5545339 0.85 HIF1A (0.41) L3MBTL1CNR2CNR1TLR2HIF1A
SCHEMBL5545252 0.85 KDM4E (0.40) L3MBTL1CNR2CNR1TLR2HIF1A
SCHEMBL5541019 0.85 GAA (0.40) L3MBTL1CNR2HIF1AKDM4EMEN1
SCHEMBL5539033 0.85 L3MBTL1 (0.43) L3MBTL1CNR2CNR1HIF1AKDM4E
SCHEMBL5540535 0.84 HIF1A (0.40) L3MBTL1CNR2CNR1TLR2HIF1A

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 FEN1 821/4885L3MBTL1 1411/4885CNR2 3954/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 FEN1 436/4885L3MBTL1 1408/4885CNR2 4810/4885

“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.