SCHEMBL5545373

SCHEMBL5545373

CC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DGAT2 Q96PD7 2/20 0.38
POLB P06746 2/20 0.37
EGLN1 Q9GZT9 2/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
XBP1 P17861 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
SCHEMBL15163524 0.92 DGAT2 (0.40) CNR2MEN1KMT2AL3MBTL1DGAT2
SCHEMBL5540538 0.87 CNR2 (0.46) CNR2MEN1KMT2AL3MBTL1POLB
SCHEMBL5545286 0.87 CNR2 (0.44) CNR2MEN1KMT2AL3MBTL1DGAT2
SCHEMBL5540832 0.87 KDM4E (0.43) MEN1KMT2AL3MBTL1POLBKDM4E
SCHEMBL5538524 0.86 L3MBTL1 (0.47) CNR2MEN1KMT2AL3MBTL1EGLN1
SCHEMBL5545864 0.86 L3MBTL1 (0.47) CNR2MEN1KMT2AL3MBTL1EGLN1
SCHEMBL5541030 0.86 L3MBTL1 (0.47) CNR2MEN1KMT2AL3MBTL1EGLN1
SCHEMBL5545331 0.86 MEN1 (0.43) MEN1KMT2AL3MBTL1DGAT2POLB
SCHEMBL5546997 0.86 MEN1 (0.46) CNR2MEN1KMT2AL3MBTL1DGAT2
SCHEMBL5541259 0.86 MEN1 (0.46) CNR2MEN1KMT2AL3MBTL1DGAT2

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 6 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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO 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 3954/4885MEN1 4802/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885MEN1 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.