SCHEMBL2023577

SCHEMBL2023577

CCOC(=O)C(=CNc1cccc(CC)n1)C(=O)OCC

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
MAPT P10636 4/20 0.72
KDM4E B2RXH2 2/20 0.72
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
NPSR1 Q6W5P4 4/20 0.54
DHODH Q02127 5/20 0.53
GAA P10253 4/20 0.53
CYP1A2 P05177 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
STAT1 P42224 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10862774 0.90 MEN1 (0.86) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL2971649 0.90 MEN1 (0.72) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL1023541 0.86 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL11600580 0.84 MEN1 (0.54) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL11600585 0.84 MEN1 (0.54) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL23145074 0.83 MEN1 (0.74) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL31303161 0.83 MEN1 (0.74) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL2650761 0.81 MEN1 (0.70) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL11562497 0.80 MEN1 (0.87) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL1020567 0.78 MEN1 (0.67) MEN1KMT2AMAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 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-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885MAPT 1347/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885MAPT 1347/4885

“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.