SCHEMBL2969952

SCHEMBL2969952

Nc1cc(OCc2ccc(Cl)cc2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 9/20 0.46
MAOA P21397 4/20 0.46
APP P05067 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
NR4A2 P43354 2/20 0.42
DHFR P00374 1/20 0.41
TEC P42680 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL810574 0.87 MAOB (0.49) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL810135 0.87 MAPT (0.48) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL810527 0.87 MAOB (0.44) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL810140 0.87 MAOB (0.46) LMNAMAOBMAOAAPPSLC6A2
SCHEMBL811334 0.87 CYP1A2 (0.55) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL2968655 0.86 MAOB (0.51) MAOBMAOANR4A2DHFR
SCHEMBL810330 0.84 APP (0.46) KDM4ELMNAMAPTNPSR1MAOB
SCHEMBL811078 0.84 CYP3A4 (0.46) LMNAMAOBMAOAAPPSLC6A2
SCHEMBL2955723 0.80 APP (0.42) ALDH1A1LMNAMAOBMAOAAPP
SCHEMBL810494 0.79 MAOB (0.48) KDM4EALDH1A1LMNAMAPTHPGD

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 8 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-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
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885ALDH1A1 2723/4885LMNA 3252/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885ALDH1A1 2723/4885LMNA 3252/4885

“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.