SCHEMBL4907066

SCHEMBL4907066

CCOC(=O)c1c(OC(=O)C(C)(C)C)c2ncc(Cc3ccc(F)cc3OCc3ccccc3)cc2n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 4/20 0.34
MAPT P10636 3/20 0.34
PKM P14618 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPIA P62937 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL5541105 0.90 ALDH1A1 (0.35) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL16481073 0.90 KDM4E (0.34) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL4907731 0.89 SMN1; SMN2 (0.36) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL14067440 0.88 ALDH1A1 (0.37) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL4896257 0.88 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL4907755 0.88 KDM4E (0.33) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL4907045 0.88 HPGD (0.37) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL4904871 0.88 KDM4E (0.33) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL4912567 0.87 KDM4E (0.44) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL4907882 0.86 ALDH1A1 (0.35) KDM4EALDH1A1LMNAMEN1KMT2A

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 9 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
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US 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 (3 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 KDM4E 1268/4885ALDH1A1 3812/4885LMNA 3503/4885
US-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 KDM4E 1139/4885ALDH1A1 2874/4885LMNA 4059/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885ALDH1A1 3073/4885LMNA 4134/4885

“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.