SCHEMBL5545864

SCHEMBL5545864

CCn1c(=O)c(C(=O)N[C@H](C)CO)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
CNR2 P34972 3/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
EGLN1 Q9GZT9 2/20 0.39
HSD17B10 Q99714 3/20 0.37
LMNA P02545 3/20 0.37
ALOX12 P18054 1/20 0.37
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 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
SCHEMBL5538524 1.00 L3MBTL1 (0.47) L3MBTL1CNR2ALDH1A1KDM4EHTT
SCHEMBL5541030 1.00 L3MBTL1 (0.47) L3MBTL1CNR2ALDH1A1KDM4EHTT
SCHEMBL5546427 0.91 CNR2 (0.44) L3MBTL1CNR2ALDH1A1KDM4EHTT
SCHEMBL5539007 0.91 CNR2 (0.44) L3MBTL1CNR2ALDH1A1KDM4EHTT
SCHEMBL5545768 0.91 CNR2 (0.44) L3MBTL1CNR2ALDH1A1KDM4EHTT
SCHEMBL5545286 0.91 CNR2 (0.44) L3MBTL1CNR2ALDH1A1KDM4EHTT
SCHEMBL5540538 0.91 CNR2 (0.46) L3MBTL1CNR2ALDH1A1HTTMEN1
SCHEMBL5540610 0.90 CNR2 (0.41) L3MBTL1CNR2ALDH1A1KDM4EHTT
SCHEMBL16991729 0.90 CNR2 (0.41) L3MBTL1CNR2ALDH1A1KDM4EHTT
SCHEMBL5546997 0.89 MEN1 (0.46) L3MBTL1CNR2ALDH1A1KDM4EMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
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 L3MBTL1 1411/4885CNR2 3954/4885ALDH1A1 3812/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885CNR2 4810/4885ALDH1A1 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.