SCHEMBL851722

SCHEMBL851722

N#Cc1ccc(COc2cc(N)cc(OCc3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.59
CYP3A4 P08684 1/20 0.53
RAB9A P51151 2/20 0.50
SMPD1 P17405 1/20 0.49
MAOA P21397 5/20 0.47
HRH3 Q9Y5N1 1/20 0.47
APP P05067 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL810451 0.85 MAOB (0.66) MAOBCYP3A4RAB9ASMPD1MAOA
SCHEMBL18664184 0.83 MAOB (0.81) MAOBCYP3A4RAB9ASMPD1MAOA
SCHEMBL29741480 0.83 MAOB (0.81) MAOBCYP3A4RAB9ASMPD1MAOA
SCHEMBL23541189 0.83 MAOB (0.59) MAOBCYP3A4RAB9ASMPD1MAOA
SCHEMBL23541194 0.83 MAOB (0.59) MAOBRAB9ASMPD1MAOAAPP
SCHEMBL8509859 0.82 FFAR1 (0.56) MAOBMAOA
SCHEMBL28553906 0.81 MAOB (0.57) MAOBCYP3A4RAB9ASMPD1MAOA
SCHEMBL23566110 0.79 MAOB (0.54) MAOBCYP3A4RAB9ASMPD1MAOA
SCHEMBL852236 0.79 MEN1 (0.69) MAOBRAB9ASMPD1SMN1; SMN2
SCHEMBL16841039 0.78 MAOB (0.72) MAOBCYP3A4RAB9ASMPD1MAOA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MAOB 187/4885CYP3A4 404/4885RAB9A 1915/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MAOB 187/4885CYP3A4 404/4885RAB9A 1915/4885

“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.