SCHEMBL5541008

SCHEMBL5541008

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
GRIN2B Q13224 7/20 0.40
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR52 Q9Y2T5 1/20 0.37
CNR2 P34972 5/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN1 Q05586 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
SCHEMBL5538501 0.95 KDM4E (0.43) L3MBTL1GRIN2BKDM4EMEN1KMT2A
SCHEMBL4760442 0.92 L3MBTL1 (0.41) L3MBTL1GRIN2BKDM4EMEN1KMT2A
SCHEMBL5538539 0.92 L3MBTL1 (0.38) L3MBTL1GRIN2BKDM4EMEN1KMT2A
SCHEMBL4586053 0.92 L3MBTL1 (0.40) L3MBTL1GRIN2BKDM4EMEN1KMT2A
SCHEMBL5538510 0.90 GRIN2B (0.43) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL5541014 0.90 L3MBTL1 (0.41) L3MBTL1GRIN2BKDM4EMEN1KMT2A
SCHEMBL4718990 0.90 L3MBTL1 (0.43) L3MBTL1GRIN2BKDM4EMEN1KMT2A
SCHEMBL5546775 0.90 L3MBTL1 (0.39) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL5540909 0.89 L3MBTL1 (0.41) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL16991731 0.89 L3MBTL1 (0.41) 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 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 1411/4885GRIN2B 1400/4885KDM4E 1268/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885GRIN2B 4036/4885KDM4E 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.