SCHEMBL5545303

SCHEMBL5545303

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 3/20 0.40
POLB P06746 2/20 0.38
HTT P42858 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
USP2 O75604 3/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX12 P18054 1/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5540832 0.88 KDM4E (0.43) MEN1KMT2AL3MBTL1POLBKDM4E
SCHEMBL5546738 0.88 CNR2 (0.42) MEN1KMT2AL3MBTL1CNR2POLB
SCHEMBL5540851 0.87 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1CNR2POLB
SCHEMBL5543114 0.87 POLB (0.45) MEN1KMT2AL3MBTL1CNR2POLB
SCHEMBL5545331 0.86 MEN1 (0.43) MEN1KMT2AL3MBTL1POLBHTT
SCHEMBL16991725 0.86 CNR2 (0.46) MEN1KMT2AL3MBTL1CNR2KDM4E
SCHEMBL5546754 0.85 L3MBTL1 (0.40) MEN1KMT2AL3MBTL1CNR2POLB
SCHEMBL5545373 0.85 CNR2 (0.41) MEN1KMT2AL3MBTL1CNR2POLB
SCHEMBL5546802 0.84 MEN1 (0.39) MEN1KMT2AL3MBTL1CNR2POLB
SCHEMBL5547364 0.84 L3MBTL1 (0.42) MEN1KMT2AL3MBTL1POLBHTT

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 MEN1 4802/4885KMT2A 502/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MEN1 4837/4885KMT2A 819/4885L3MBTL1 1408/4885

“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.