SCHEMBL5546671

SCHEMBL5546671

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
GRIN2B Q13224 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CNR1 P21554 1/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 2/20 0.35
GRIN1 Q05586 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
SCHEMBL5545873 0.93 L3MBTL1 (0.43) L3MBTL1GRIN2BKDM4EALDH1A1CNR2
SCHEMBL5547220 0.91 GRIN2B (0.44) L3MBTL1GRIN2BKDM4ECNR2MEN1
SCHEMBL5545426 0.91 L3MBTL1 (0.42) L3MBTL1GRIN2BALDH1A1CNR2MEN1
SCHEMBL5543265 0.91 GRIN2B (0.43) L3MBTL1GRIN2BKDM4EMEN1KMT2A
SCHEMBL5539138 0.91 MAPT (0.46) L3MBTL1GRIN2BKDM4EALDH1A1CNR2
SCHEMBL5545368 0.89 L3MBTL1 (0.40) L3MBTL1ALDH1A1CNR2MEN1KMT2A
SCHEMBL5545482 0.87 GRIN2B (0.42) L3MBTL1GRIN2BCNR2MEN1KMT2A
SCHEMBL5547445 0.87 L3MBTL1 (0.44) L3MBTL1ALDH1A1CNR2MEN1KMT2A
SCHEMBL5538439 0.87 GRIN2B (0.45) L3MBTL1GRIN2BKDM4ECNR2MEN1
SCHEMBL5540817 0.87 L3MBTL1 (0.39) L3MBTL1GRIN2BALDH1A1CNR2MEN1

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.