SCHEMBL8599820

SCHEMBL8599820

COc1cccc(COc2ccc(Cl)c(N)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.62
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
ACHE P22303 1/20 0.49
APP P05067 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL8603974 0.87 ENPP2 (0.48) MAOBACHEAPPDRD4
SCHEMBL5090301 0.87 MAOB (0.68) MAOBIDO1AGXTNPC1RAB9A
SCHEMBL13577131 0.85 MAOB (0.54) MAOBIDO1AGXTNPC1RAB9A
SCHEMBL13577010 0.84 MAOB (0.57) MAOBIDO1MRGPRX4ACHEDRD4
SCHEMBL13577128 0.84 MAOB (0.65) MAOBIDO1AGXTDRD4
SCHEMBL31442496 0.82 DRD4 (0.62) MAOBNPC1RAB9AMRGPRX4MEN1
SCHEMBL4302160 0.82 DRD4 (0.62) MAOBNPC1RAB9AMRGPRX4MEN1
SCHEMBL31442495 0.82 DRD4 (0.62) MAOBNPC1RAB9AMRGPRX4MEN1
SCHEMBL13577127 0.81 MAOB (0.66) MAOBIDO1AGXTDRD4
SCHEMBL14854755 0.80 MAOB (0.77) MAOBIDO1AGXTRAB9AMRGPRX4

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-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 MAOB 603/4885IDO1 1022/4885AGXT 955/4885

“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.