SCHEMBL5544647

SCHEMBL5544647

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCN2CCCCCC2=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 9/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
HTT P42858 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 4/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 3/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 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
SCHEMBL5539167 0.99 KDM4E (0.41) KDM4ELMNAALDH1A1SIRT2SIRT1
SCHEMBL5545740 0.98 SIRT2 (0.42) KDM4ELMNAALDH1A1SIRT2SIRT1
SCHEMBL5546787 0.95 PDE3B (0.41) KDM4ELMNAALDH1A1SIRT2SIRT1
SCHEMBL4998773 0.93 PDE3B (0.43) KDM4ELMNAALDH1A1SIRT2SIRT1
SCHEMBL5547232 0.88 CNR2 (0.37) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5541181 0.88 KDM4E (0.44) KDM4ELMNAALDH1A1HTTPDE3B
SCHEMBL5547234 0.88 ALDH1A1 (0.38) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5545282 0.86 KDM4E (0.55) KDM4ELMNAALDH1A1HTTPDE3B
SCHEMBL5538527 0.86 HSD17B10 (0.39) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL5541088 0.85 KDM4E (0.47) KDM4ELMNAALDH1A1HTTPDE3B

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 KDM4E 1268/4885LMNA 3503/4885ALDH1A1 3812/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885LMNA 4134/4885ALDH1A1 3073/4885

“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.