SCHEMBL5541144

SCHEMBL5541144

CCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN(C)C(=O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HIF1A Q16665 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5546941 0.96 L3MBTL1 (0.40) L3MBTL1MEN1KMT2APOLBKDM4E
SCHEMBL15163566 0.93 L3MBTL1 (0.38) L3MBTL1MEN1KMT2APOLBKDM4E
SCHEMBL15163678 0.92 L3MBTL1 (0.43) L3MBTL1MEN1KMT2APOLBKDM4E
SCHEMBL16010078 0.90 L3MBTL1 (0.36) L3MBTL1MEN1KMT2APOLBKDM4E
SCHEMBL5546978 0.90 L3MBTL1 (0.43) L3MBTL1MEN1KMT2APOLBKDM4E
SCHEMBL15163635 0.90 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AKDM4EHIF1A
SCHEMBL5538529 0.89 L3MBTL1 (0.40) L3MBTL1MEN1KMT2APOLBKDM4E
Propylamine SCHEMBL5546750 0.89 L3MBTL1 (0.41) L3MBTL1MEN1KMT2APOLBKDM4E
SCHEMBL5540641 0.88 L3MBTL1 (0.41) L3MBTL1MEN1KMT2APOLBKDM4E
SCHEMBL15163603 0.88 L3MBTL1 (0.41) L3MBTL1MEN1KMT2APOLBKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.