SCHEMBL5538686

SCHEMBL5538686

O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(-c2cccc(F)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
EGLN1 Q9GZT9 3/20 0.38
ALDH1A1 P00352 2/20 0.36
GRIN2B Q13224 1/20 0.35
CYP1A2 P05177 1/20 0.35
METAP2 P50579 1/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RCE1 Q9Y256 1/20 0.35
PTGS2 P35354 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
SCHEMBL5540495 0.92 EGLN1 (0.41) GPR52KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5548055 0.91 HPGD (0.46) KDM4EMEN1KMT2AL3MBTL1EGLN1
SCHEMBL15163567 0.90 TLR2 (0.39) GPR52KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5547005 0.89 MEN1 (0.39) MEN1KMT2AL3MBTL1EGLN1HPGD
SCHEMBL5545761 0.88 MEN1 (0.37) GPR52MEN1KMT2AL3MBTL1EGLN1
SCHEMBL5540560 0.86 EGLN1 (0.41) GPR52KDM4EMEN1KMT2AL3MBTL1
SCHEMBL15163569 0.86 HSD17B10 (0.46) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL5547361 0.84 EGLN1 (0.41) EGLN1HPGDSNCATSHR
SCHEMBL5546914 0.84 CYP1A2 (0.38) GPR52KDM4EMEN1KMT2AL3MBTL1
Gsk-364735 SCHEMBL5545304 0.84 KDM4E (0.53) GPR52KDM4EMEN1KMT2AL3MBTL1

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 GPR52 2290/4885KDM4E 1268/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 GPR52 3391/4885KDM4E 1255/4885MEN1 4837/4885

“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.