SCHEMBL810530

SCHEMBL810530

Nc1cccc(OCc2cccc(Br)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.77
MAOA P21397 3/20 0.61
APP P05067 1/20 0.59
MRGPRX4 Q96LA9 1/20 0.56
PARP15 Q460N3 1/20 0.56
PARP14 Q460N5 1/20 0.56
PARP10 Q53GL7 1/20 0.56
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL810741 0.93 MAOB (0.77) MAOBMAOAAPPMRGPRX4PARP15
SCHEMBL4404036 0.88 MAOB (1.00) MAOBMAOAMRGPRX4PARP15PARP14
SCHEMBL810677 0.85 MAOB (0.72) MAOBMAOAAPP
SCHEMBL3321461 0.85 MAOB (0.69) MAOBMAOAPARP15PARP14PARP10
3-(Benzyloxy)Aniline SCHEMBL291445 0.82 MAOB (1.00) MAOBMAOAAPPRAB9ASMN1; SMN2
SCHEMBL13469158 0.82 MAOB (0.82) MAOBMAOAMRGPRX4PARP15PARP14
3-(Benzyloxy)Aniline SCHEMBL29428912 0.82 MAOB (1.00) MAOBMAOAAPPRAB9ASMN1; SMN2
SCHEMBL6846696 0.81 MAOB (0.58) MAOBMAOAAPPNPC1ALDH1A1
3-(Benzyloxy)Aniline SCHEMBL28079815 0.81 MAOB (0.90) MAOBMAOAAPPRAB9ASMN1; SMN2
3-(Benzyloxy)Aniline SCHEMBL11263814 0.81 MAOB (0.96) MAOBMAOAAPPRAB9ASMN1; SMN2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US 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
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 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
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885MAOA 686/4885APP 2083/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885MAOA 3771/4885APP 3580/4885

“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.