SCHEMBL5545873

SCHEMBL5545873

CCNC(=O)Cn1c(=O)c(C(=O)NC)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CNR2 P34972 6/20 0.39
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 2/20 0.36
LMNA P02545 4/20 0.36
CES2 O00748 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
MAPT P10636 2/20 0.35
F2 P00734 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
SCHEMBL5546671 0.93 L3MBTL1 (0.42) L3MBTL1MEN1KMT2AGRIN1GRIN2B
SCHEMBL5545426 0.93 L3MBTL1 (0.42) L3MBTL1MEN1KMT2AGRIN1GRIN2B
SCHEMBL5545368 0.90 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ACNR2TSHR
SCHEMBL5545763 0.90 L3MBTL1 (0.42) L3MBTL1MEN1KMT2AGRIN1GRIN2B
SCHEMBL5547220 0.90 GRIN2B (0.44) L3MBTL1MEN1KMT2AGRIN1GRIN2B
SCHEMBL5539138 0.89 MAPT (0.46) L3MBTL1MEN1KMT2AGRIN1GRIN2B
SCHEMBL5545482 0.89 GRIN2B (0.42) L3MBTL1MEN1KMT2AGRIN2BCNR2
SCHEMBL5547445 0.89 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ACNR2ALDH1A1
SCHEMBL5540817 0.88 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AGRIN1GRIN2B
SCHEMBL5538546 0.88 CNR2 (0.42) L3MBTL1MEN1KMT2ACNR2KDM4E

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 7 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 claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
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 1411/4885MEN1 4802/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885MEN1 4837/4885KMT2A 819/4885

“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.