SCHEMBL5545319

SCHEMBL5545319

Cn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3c(F)cc(F)cc3F)cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 13/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GRIN2B Q13224 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EGLN1 Q9GZT9 2/20 0.31

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
SCHEMBL5545341 0.87 ALDH1A1 (0.45) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL14511060 0.85 MEN1 (0.40) KDM4EHIF1AMEN1KMT2ANPC1
SCHEMBL14536652 0.85 KDM4E (0.47) KDM4EHIF1AMEN1KMT2ANPC1
SCHEMBL14536651 0.84 MEN1 (0.39) KDM4EALDH1A1HPGDHIF1AMEN1
SCHEMBL5541153 0.84 HIF1A (0.39) HIF1AMEN1KMT2AGRIN2B
SCHEMBL5545343 0.83 MEN1 (0.36) KDM4EALDH1A1HPGDHIF1AMEN1
SCHEMBL4576606 0.81 MEN1 (0.37) KDM4EALDH1A1HPGDHIF1AMEN1
SCHEMBL5548083 0.81 MEN1 (0.35) KDM4EALDH1A1HPGDHIF1AMEN1
SCHEMBL4591362 0.79 MEN1 (0.34) KDM4EALDH1A1HPGDHIF1AMEN1
SCHEMBL5546555 0.79 HDAC3 (0.38) HIF1AMEN1KMT2AGRIN2BEGLN1

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 KDM4E 1268/4885ALDH1A1 3812/4885HPGD 3518/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885ALDH1A1 3073/4885HPGD 2929/4885

“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.