SCHEMBL5547355

SCHEMBL5547355

O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C2CC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.41
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GPR52 Q9Y2T5 2/20 0.37
CNR2 P34972 4/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PLD2 O14939 1/20 0.35
PLD1 Q13393 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
SCHEMBL15163674 0.94 TLR2 (0.40) TLR2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5545789 0.91 TLR2 (0.42) TLR2MEN1KMT2AL3MBTL1CNR2
SCHEMBL5546784 0.89 TLR2 (0.42) TLR2MEN1KMT2AL3MBTL1CNR2
SCHEMBL5541103 0.88 TLR2 (0.40) TLR2MEN1KMT2AL3MBTL1GPR52
SCHEMBL5545664 0.88 TLR2 (0.40) TLR2MEN1KMT2AL3MBTL1GPR52
SCHEMBL5545427 0.88 TLR2 (0.42) TLR2MEN1KMT2AL3MBTL1CNR2
SCHEMBL5541118 0.88 TLR2 (0.42) TLR2MEN1KMT2AL3MBTL1CNR2
SCHEMBL5547450 0.87 KDM4E (0.41) TLR2KDM4EMEN1KMT2AGPR52
SCHEMBL5540555 0.86 HIF1A (0.41) TLR2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5545638 0.85 CNR2 (0.40) TLR2MEN1KMT2AL3MBTL1CNR2

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 6 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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO 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 TLR2 3732/4885KDM4E 1268/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TLR2 4373/4885KDM4E 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.