SCHEMBL4583258

SCHEMBL4583258

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 6/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ALOX5 P09917 1/20 0.35
PLK1 P53350 1/20 0.34

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
SCHEMBL14607857 0.94 KDM4E (0.43) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4583844 0.91 L3MBTL1 (0.38) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5545282 0.89 KDM4E (0.55) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5541088 0.88 KDM4E (0.47) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5547343 0.88 KDM4E (0.47) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4583709 0.88 L3MBTL1 (0.39) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4585046 0.87 L3MBTL1 (0.39) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5541141 0.87 GAA (0.45) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5538484 0.86 KDM4E (0.45) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5545287 0.85 KDM4E (0.52) KDM4ELMNAALDH1A1HTTSMN1; SMN2

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-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1910355-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019100-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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 (1 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-20080194523-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 KDM4E 1183/4885LMNA 4141/4885ALDH1A1 3012/4885

“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.