SCHEMBL811455

SCHEMBL811455

COC(=O)c1ccc(Sc2ccc(O)cc2)c(N)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.80
KDM4E B2RXH2 8/20 0.80
ALDH1A1 P00352 8/20 0.80
HPGD P15428 7/20 0.80
LMNA P02545 4/20 0.80
HSD17B10 Q99714 3/20 0.80
L3MBTL1 Q9Y468 2/20 0.80
ALOX15 P16050 2/20 0.80
MAPK1 P28482 1/20 0.80
NPSR1 Q6W5P4 2/20 0.78
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
GAA P10253 3/20 0.53
GLA P06280 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53

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
SCHEMBL1454782 0.87 MAPT (0.78) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL1455467 0.84 MAPT (0.72) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL4386608 0.82 KDM4E (0.54) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL15227961 0.82 MAPT (0.85) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL6511279 0.80 KDM4E (0.66) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL6935338 0.80 CA1 (0.77) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL1455451 0.79 KDM4E (0.65) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL810774 0.79 ALDH1A1 (0.59) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL7360846 0.79 KDM4E (0.64) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL18381840 0.78 KDM4E (0.67) MAPTKDM4EALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 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
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885KDM4E 1822/4885ALDH1A1 2723/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885KDM4E 1822/4885ALDH1A1 2723/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885KDM4E 1822/4885ALDH1A1 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.