SCHEMBL5545372

SCHEMBL5545372

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccncc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.45
HIF1A Q16665 1/20 0.43
CNR1 P21554 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 3/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.38
EGLN1 Q9GZT9 2/20 0.38
MAPK1 P28482 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5547227 0.90 GRIN1 (0.46) CNR2HIF1ACNR1L3MBTL1SMN1; SMN2
SCHEMBL5539175 0.89 CNR2 (0.42) CNR2HIF1ACNR1L3MBTL1SMN1; SMN2
SCHEMBL5547211 0.87 CNR2 (0.42) CNR2CNR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5545514 0.86 GRIN1 (0.44) CNR2CNR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5546666 0.86 L3MBTL1 (0.45) CNR2HIF1ACNR1L3MBTL1SMN1; SMN2
SCHEMBL5545823 0.86 CNR2 (0.39) CNR2HIF1ACNR1L3MBTL1SMN1; SMN2
SCHEMBL5548075 0.86 CNR2 (0.39) CNR2CNR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5545426 0.86 L3MBTL1 (0.42) CNR2CNR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5545334 0.86 L3MBTL1 (0.42) CNR2CNR1L3MBTL1ALDH1A1MEN1
SCHEMBL5547445 0.86 L3MBTL1 (0.44) CNR2HIF1ACNR1L3MBTL1SMN1; SMN2

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 CNR2 3954/4885HIF1A 3928/4885CNR1 4053/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885HIF1A 3112/4885CNR1 4670/4885

“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.