SCHEMBL5540787

SCHEMBL5540787

CN(C)C(=O)Cn1c(=O)c(C(=O)NCCN(C)S(C)(=O)=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
GRIN2B Q13224 4/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CNR2 P34972 5/20 0.34
KDM4E B2RXH2 3/20 0.34
TLR2 O60603 2/20 0.33
CNR1 P21554 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5538656 0.91 L3MBTL1 (0.47) EGLN1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5541008 0.89 L3MBTL1 (0.41) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL5540775 0.89 EGLN1 (0.40) EGLN1L3MBTL1MEN1KMT2ACNR2
SCHEMBL5539155 0.89 EGLN1 (0.40) EGLN1L3MBTL1MEN1KMT2ACNR2
SCHEMBL5540932 0.89 MEN1 (0.43) EGLN1L3MBTL1MEN1KMT2ACNR2
SCHEMBL4760442 0.88 L3MBTL1 (0.41) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL5540898 0.88 MEN1 (0.46) EGLN1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5538501 0.87 KDM4E (0.43) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL4586053 0.87 L3MBTL1 (0.40) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL5538510 0.86 GRIN2B (0.43) L3MBTL1GRIN2BMEN1KMT2ACNR2

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-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
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 EGLN1 3142/4885L3MBTL1 1411/4885GRIN2B 1400/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 EGLN1 3238/4885L3MBTL1 1408/4885GRIN2B 4036/4885

“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.