SCHEMBL810741

SCHEMBL810741

Nc1cccc(COc2cccc(Br)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.77
MRGPRX4 Q96LA9 1/20 0.60
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAOA P21397 3/20 0.57
APP P05067 1/20 0.55
PARP15 Q460N3 2/20 0.52
PARP10 Q53GL7 2/20 0.52
PARP14 Q460N5 1/20 0.52
IDO1 P14902 2/20 0.51
AGXT P21549 2/20 0.51

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
SCHEMBL810530 0.93 MAOB (0.77) MAOBMRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL4404036 0.88 MAOB (1.00) MAOBMRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL29666660 0.82 MAOB (1.00) MAOBMRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL73864 0.82 MAOB (1.00) MAOBMRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL631673 0.82 MAOB (0.79) MAOBRAB9ASMN1; SMN2MAOAAPP
SCHEMBL31114416 0.82 MAOB (0.79) MAOBRAB9ASMN1; SMN2MAOAAPP
SCHEMBL810677 0.81 MAOB (0.72) MAOBMAOAAPP
SCHEMBL3321461 0.81 MAOB (0.69) MAOBRAB9ASMN1; SMN2MAOAPARP15
SCHEMBL17978716 0.81 MAOB (0.96) MAOBMRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL16795515 0.80 MAOB (1.00) MAOBMRGPRX4NPC1ALDH1A1RAB9A

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
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-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
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885MRGPRX4 3393/4885NPC1 37/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885MRGPRX4 3393/4885NPC1 37/4885

“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.