SCHEMBL5548083

SCHEMBL5548083

Cn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3N)cc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 7/20 0.35
FEN1 P39748 2/20 0.33
HTT P42858 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GRIN2B Q13224 1/20 0.32
ERCC5 P28715 4/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL5545343 0.91 MEN1 (0.36) MEN1KMT2ALMNAHIF1AFEN1
SCHEMBL5546555 0.89 HDAC3 (0.38) MEN1KMT2AHIF1AFEN1HDAC3
SCHEMBL4576606 0.88 MEN1 (0.37) MEN1KMT2AHIF1AFEN1GRIN2B
SCHEMBL4591069 0.87 MEN1 (0.38) MEN1KMT2ALMNAHIF1AFEN1
SCHEMBL4591362 0.87 MEN1 (0.34) MEN1KMT2AHIF1AGRIN2BKDM4E
SCHEMBL4591622 0.86 HIF1A (0.34) MEN1KMT2ALMNAHIF1AFEN1
SCHEMBL4591644 0.86 MEN1 (0.39) MEN1KMT2AHIF1A
SCHEMBL5546795 0.85 TOP2A (0.35) MEN1KMT2AHIF1AFEN1
SCHEMBL4575647 0.85 GRIN2B (0.34) MEN1KMT2AHIF1AGRIN2BKDM4E
SCHEMBL6064605 0.85 MEN1 (0.40) MEN1KMT2AHIF1AGRIN2BKDM4E

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 5 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
CN-1976915-A HIV integrase inhibitors SMITHKLINE BEECHAM CORP (US) 2007-06-06 CN 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 502/4885LMNA 3503/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MEN1 4837/4885KMT2A 819/4885LMNA 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.