SCHEMBL5545758

SCHEMBL5545758

COC(=O)c1ncc(Cc2ccc(F)cc2)cc1Nc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FPR2 P25090 1/20 0.43
DAPK1 P53355 1/20 0.43
EGFR P00533 2/20 0.42
POLB P06746 1/20 0.42
ERBB3 P21860 1/20 0.42
GAA P10253 1/20 0.42
KLK7 P49862 2/20 0.42
GRM2 Q14416 1/20 0.41
ERBB2 P04626 1/20 0.41
KCNH3 Q9ULD8 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL4715889 0.94 MEN1 (0.41) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5547181 0.91 AKR1C3 (0.45) SAE1UBA2MAPTMEN1KMT2A
SCHEMBL5538820 0.85 CYP1A2 (0.46) MAPTMEN1KMT2ALMNATP53
SCHEMBL5545753 0.84 LMNA (0.46) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL5547230 0.84 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4714781 0.81 P4HTM (0.45) KMT2ASMN1; SMN2GAA
SCHEMBL5546468 0.79 GAA (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5541123 0.78 CYP11B1 (0.42) MAPTMEN1KMT2ALMNAGRM2
SCHEMBL12378242 0.78 MAPT (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4585367 0.77 MAPT (0.47) MAPTMEN1KMT2ALMNAPOLB

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 SAE1 3100/4885UBA2 2259/4885MAPT 2173/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 SAE1 1604/4885UBA2 2491/4885MAPT 949/4885

“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.