SCHEMBL1390722

SCHEMBL1390722

CC(=O)NC(C)c1cc2ccc(OCc3ccccc3)cc2o1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.64
MAOB P27338 12/20 0.60
SLC16A3 O15427 1/20 0.57
ACACB O00763 2/20 0.55
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
MTNR1A P48039 1/20 0.54
KMT2A Q03164 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52

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
SCHEMBL12433342 0.91 MAOA (0.53) MAOAMAOBSLC16A3ACACBNPC1
SCHEMBL1390787 0.89 MAOA (0.51) MAOAMAOBSLC16A3ACACBNPC1
SCHEMBL1391350 0.89 MAOA (0.51) MAOAMAOBSLC16A3ACACBNPC1
SCHEMBL1390937 0.88 MAOB (0.51) MAOAMAOBSLC16A3ACACBNPC1
SCHEMBL1390987 0.84 ACACA (0.62) MAOAACACB
SCHEMBL2318663 0.83 NPC1 (0.49) MAOAMAOBACACBNPC1PPARD
SCHEMBL12433374 0.83 MAOA (0.46) MAOAMAOBSLC16A3NPC1CA12
SCHEMBL1391720 0.82 ACACB (0.46) MAOAMAOBACACBPPARDPPARA
SCHEMBL1391073 0.82 ACACA (0.57) MAOAMAOBACACB
SCHEMBL1391015 0.82 MAOA (0.60) MAOAMAOBSLC16A3MEN1NPC1

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-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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 (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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB MAOA 3960/4885MAOB 4207/4885SLC16A3 878/4885

“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.