SCHEMBL2968655

SCHEMBL2968655

Nc1cc(OCc2cccc(Cl)c2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.51
MAOA P21397 5/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
DHFR P00374 1/20 0.46
NR4A2 P43354 1/20 0.46
PKM P14618 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL2969952 0.86 KDM4E (0.47) MAOBMAOADHFRNR4A2
SCHEMBL811334 0.86 CYP1A2 (0.55) MAOBMAOAPKMALOX5
SCHEMBL811689 0.86 MAOB (0.54) MAOBMAOANR4A2
SCHEMBL810088 0.86 MAOB (0.52) MAOBMAOA
SCHEMBL810494 0.86 MAOB (0.48) MAOBMAOA
SCHEMBL810860 0.85 MAOB (0.52) MAOB
SCHEMBL810980 0.83 FFAR1 (0.48) MAOBMAOA
SCHEMBL810110 0.83 MAOB (0.57) MAOBNR4A2
SCHEMBL811055 0.79 MRGPRX4 (0.39) DHFRALOX5
SCHEMBL810574 0.79 MAOB (0.49) MAOBMAOANR4A2PKM

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 MAOB 3352/4885MAOA 3771/4885RXRA 3052/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885MAOA 3771/4885RXRA 3052/4885

“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.