SCHEMBL5545377

SCHEMBL5545377

CC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
KDM5A P29375 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
GSK3B P49841 1/20 0.38
CNR2 P34972 3/20 0.38
MITF O75030 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
PDE2A O00408 1/20 0.35
GABRA5 P31644 3/20 0.34
SERPINE1 P05121 1/20 0.34
MAP4K4 O95819 1/20 0.33

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
SCHEMBL5545550 1.00 TDP1 (0.43) TDP1KDM5AKMT2AMEN1KDM4E
SCHEMBL5546578 1.00 TDP1 (0.43) TDP1KDM5AKMT2AMEN1KDM4E
SCHEMBL5546943 0.90 TDP1 (0.45) TDP1KDM5AKMT2AMEN1KDM4E
SCHEMBL5548065 0.87 KDM5A (0.49) TDP1KDM5AKMT2AMEN1KDM4E
SCHEMBL5547305 0.86 TDP1 (0.48) TDP1KDM5AKMT2AMEN1KDM4E
SCHEMBL5546882 0.85 TDP1 (0.47) TDP1KDM5AKMT2AMEN1KDM4E
SCHEMBL5541006 0.85 TDP1 (0.47) TDP1KDM5AKMT2AMEN1KDM4E
SCHEMBL5543155 0.85 TDP1 (0.47) TDP1KDM5AKMT2AMEN1KDM4E
SCHEMBL14511037 0.84 TDP1 (0.46) TDP1KDM5AKMT2AMEN1KDM4E
SCHEMBL5547505 0.84 TDP1 (0.40) TDP1KDM5AKMT2AMEN1KDM4E

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 TDP1 801/4885KDM5A 2056/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TDP1 575/4885KDM5A 1439/4885KMT2A 819/4885

“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.