SCHEMBL3314530

SCHEMBL3314530

COc1ccc(C2=NN(C(C)=O)C(c3ccccc3)C2)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.83
MAOA P21397 2/20 0.83
NPC1 O15118 1/20 0.73
RAB9A P51151 1/20 0.73
KMT2A Q03164 1/20 0.71
PKM P14618 1/20 0.71
ACHE P22303 5/20 0.71
EGFR P00533 2/20 0.69

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
SCHEMBL3308921 0.91 MAOB (0.83) MAOBMAOAKMT2APKMACHE
SCHEMBL3318038 0.90 EGFR (0.76) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL3314904 0.89 ACHE (0.71) MAOBMAOAKMT2APKMACHE
SCHEMBL15425085 0.88 MAOB (0.69) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL23052467 0.87 MAOB (0.71) MAOBMAOAKMT2APKMACHE
SCHEMBL3312460 0.87 MAOB (0.78) MAOBMAOAKMT2APKMACHE
SCHEMBL3314128 0.87 ACHE (0.71) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL3313199 0.86 KDM4E (0.75) MAOBMAOAKMT2AACHE
SCHEMBL16181219 0.85 MAOB (0.74) MAOBMAOAKMT2APKMACHE
SCHEMBL3312894 0.84 PKM (0.66) MAOBMAOAKMT2APKMACHE

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-8039505-B2 Compounds for modulating T-cells UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-10-18 US disclosed
US-8039505-B2 Compounds for modulating T-cells UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-10-18 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20080293739-A1 COMPOUNDS FOR MODULATING T-CELLS UNIVERSITY OF UTAH RESEARCH FOUNDATION 2008-11-27 US disclosed
US-20080293739-A1 COMPOUNDS FOR MODULATING T-CELLS UNIVERSITY OF UTAH RESEARCH FOUNDATION 2008-11-27 US disclosed
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 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-20080293739-A1 COMPOUNDS FOR MODULATING T-CELLS CD4, HLA-DRB1, CD74 MAOB 2600/4885MAOA 3064/4885NPC1 4379/4885
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C MAOB 233/4885MAOA 181/4885NPC1 4138/4885

“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.