SCHEMBL5539138

SCHEMBL5539138

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCCN(C)C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 7/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CNR1 P21554 1/20 0.35
ACKR3 P25106 1/20 0.34
LMNA P02545 1/20 0.34
CES2 O00748 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL5540799 0.91 MAPT (0.43) MAPTRXFP1TP53L3MBTL1CNR2
SCHEMBL5546671 0.91 L3MBTL1 (0.42) MAPTRXFP1L3MBTL1CNR2MEN1
SCHEMBL5547220 0.89 GRIN2B (0.44) MAPTRXFP1TP53L3MBTL1CNR2
SCHEMBL5545873 0.89 L3MBTL1 (0.43) MAPTRXFP1TP53L3MBTL1CNR2
SCHEMBL5545426 0.89 L3MBTL1 (0.42) RXFP1L3MBTL1CNR2MEN1KMT2A
SCHEMBL5545368 0.86 L3MBTL1 (0.40) RXFP1TP53L3MBTL1CNR2MEN1
SCHEMBL5538510 0.86 GRIN2B (0.43) L3MBTL1CNR2MEN1KMT2ACNR1
SCHEMBL5545482 0.85 GRIN2B (0.42) L3MBTL1CNR2MEN1KMT2AF2
SCHEMBL5547445 0.85 L3MBTL1 (0.44) L3MBTL1CNR2MEN1KMT2ACNR1
SCHEMBL5538439 0.85 GRIN2B (0.45) MAPTTP53L3MBTL1CNR2MEN1

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 MAPT 2173/4885RXFP1 4660/4885TP53 4123/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MAPT 949/4885RXFP1 4715/4885TP53 2849/4885

“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.