SCHEMBL5541141

SCHEMBL5541141

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCOC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 5/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
SLC34A1 Q06495 2/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ALOX5 P09917 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CCR6 P51684 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5545282 0.90 KDM4E (0.55) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5545287 0.90 KDM4E (0.52) HSD17B10ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5547343 0.89 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5541088 0.89 KDM4E (0.47) GAAALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5540820 0.88 L3MBTL1 (0.41) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL5540759 0.88 KDM4E (0.37) GAATSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5538484 0.87 KDM4E (0.45) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL4714636 0.87 ALDH1A1 (0.51) GAAALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4583258 0.87 KDM4E (0.43) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL14607857 0.87 KDM4E (0.43) ALDH1A1SMN1; SMN2KDM4ELMNAHTT

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 GAA 2514/4885TSHR 4052/4885HSD17B10 2218/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 GAA 1077/4885TSHR 4622/4885HSD17B10 1401/4885

“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.