SCHEMBL1455451

SCHEMBL1455451

COC(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)c(N)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
MAPT P10636 7/20 0.65
ALDH1A1 P00352 6/20 0.65
HPGD P15428 6/20 0.65
LMNA P02545 3/20 0.65
HSD17B10 Q99714 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
ALOX15 P16050 2/20 0.65
MAPK1 P28482 1/20 0.65
NPSR1 Q6W5P4 2/20 0.63
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
HDAC1 Q13547 1/20 0.42
CYP17A1 P05093 1/20 0.41
NAMPT P43490 1/20 0.41
MAP4K4 O95819 1/20 0.40
AURKA O14965 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
SCHEMBL1455467 0.89 MAPT (0.72) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL1454579 0.86 MAPT (0.58) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL1455205 0.85 MAPT (0.46) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL13305748 0.85 MAP4K4 (0.53) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL1454638 0.83 MAPT (0.52) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL5013979 0.81 MAPT (0.67) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL15912554 0.81 MAPT (0.51) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL1455518 0.81 NAMPT (0.46) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL1456099 0.80 MEN1 (0.42) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL1456097 0.80 MEN1 (0.42) KDM4EMAPTALDH1A1HPGDLMNA

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367824-B1 Anti-viral derivatives of pyrimidine ABBVIE INC (US) 2016-03-23 EP disclosed
EP-2367824-B1 Anti-viral derivatives of pyrimidine ABBVIE INC (US) 2016-03-23 EP disclosed
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140213601-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-20140213601-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
WO-2010075380-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-07-01 WO disclosed
WO-2010075376-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-07-01 WO disclosed
WO-2010075380-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-07-01 WO disclosed
US-20100160355-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-06-24 US disclosed
US-20100160355-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-06-24 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (3 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-20100160355-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20140213601-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885MAPT 1347/4885ALDH1A1 2723/4885

“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.