SCHEMBL3054740

SCHEMBL3054740

Cn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2cc(Oc3ncc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.39
LGALS3 P17931 1/20 0.39
S1PR2 O95136 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ATM Q13315 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
CFTR P13569 1/20 0.36
SYK P43405 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL3064852 0.91 HRH3 (0.45) LGALS8LGALS3S1PR2MAOBMAOA
SCHEMBL3046701 0.89 STAT3 (0.44) S1PR2MAPTSMN1; SMN2
SCHEMBL3068789 0.88 LGALS8 (0.41) LGALS8LGALS3MAOBMAOAACHE
SCHEMBL3055575 0.85 HRH3 (0.41) LGALS8LGALS3MEN1KMT2AHRH3
SCHEMBL3046226 0.85 HRH3 (0.45) HRH3
SCHEMBL3052158 0.84 SMN1; SMN2 (0.46) LGALS8LGALS3MAPTSMN1; SMN2LMNA
SCHEMBL3055758 0.84 LGALS8 (0.40) LGALS8LGALS3S1PR2MEN1KMT2A
SCHEMBL3064793 0.83 DRD2 (0.41) LGALS8LGALS3MEN1KMT2AMAPT
SCHEMBL3064405 0.82 HRH3 (0.43) LGALS8LGALS3MEN1KMT2AHRH3
SCHEMBL3061606 0.82 HRH3 (0.44) MEN1KMT2AHRH3SYKPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 LGALS8 4503/4885LGALS3 3445/4885S1PR2 3534/4885

“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.