SCHEMBL810451

SCHEMBL810451

N#Cc1ccc(COc2cccc(N)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.66
APP P05067 1/20 0.65
SMPD1 P17405 1/20 0.59
CYP3A4 P08684 2/20 0.53
SPHK2 Q9NRA0 1/20 0.49
F2 P00734 2/20 0.49
TP53 P04637 1/20 0.49
MAOA P21397 3/20 0.47
RAB9A P51151 1/20 0.47
AS3MT Q9HBK9 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46

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
SCHEMBL811614 0.86 MAOB (0.64) MAOBAPPCYP3A4F2TP53
SCHEMBL851722 0.85 MAOB (0.59) MAOBAPPSMPD1CYP3A4MAOA
SCHEMBL5866132 0.85 TSHR (0.48) MAOBAPPSMPD1CYP3A4TP53
SCHEMBL27510264 0.84 MAOB (0.53) MAOBAPPSMPD1CYP3A4F2
Hydrochloric Acid SCHEMBL5866134 0.84 TSHR (0.47) MAOBAPPSMPD1CYP3A4TP53
SCHEMBL3900543 0.83 MAOB (0.59) MAOBAPPF2MAOAAS3MT
SCHEMBL18223726 0.83 MAOB (0.61) MAOBSMPD1CYP3A4SPHK2F2
SCHEMBL4699319 0.83 SMPD1 (0.64) MAOBAPPSMPD1CYP3A4SPHK2
SCHEMBL8618909 0.81 MAOB (0.85) MAOBAPPSMPD1RAB9A
SCHEMBL18614360 0.81 SMPD1 (0.59) MAOBSMPD1CYP3A4SPHK2F2

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 7 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
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885APP 3580/4885SMPD1 3857/4885

“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.