SCHEMBL3057342

SCHEMBL3057342

COC(=O)c1cc2cc(Oc3ccc(N(C)C(=O)c4ccc(Cl)c(Cl)c4)cn3)ccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
LGALS8 O00214 1/20 0.44
LGALS3 P17931 1/20 0.44
HRH3 Q9Y5N1 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MCHR1 Q99705 1/20 0.40
OXTR P30559 2/20 0.39
MLNR O43193 2/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GALR3 O60755 1/20 0.37
GAA P10253 1/20 0.37
CHRNA7 P36544 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
LMNA P02545 2/20 0.36
PPARG P37231 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
SCHEMBL3060033 0.86 HRH3 (0.45) LGALS8LGALS3HRH3MLNR
SCHEMBL3064409 0.83 HRH3 (0.44) LGALS8LGALS3HRH3MLNR
SCHEMBL3057343 0.82 L3MBTL1 (0.45) L3MBTL1LGALS8LGALS3HRH3SMN1; SMN2
Bromide SCHEMBL3061151 0.81 STAT3 (0.45) HRH3MLNR
Bromide SCHEMBL3064130 0.81 STAT3 (0.44) HRH3MLNR
SCHEMBL10180905 0.80 STAT3 (0.44) HRH3MLNR
Maleic Acid SCHEMBL3069658 0.80 STAT3 (0.45) HRH3
SCHEMBL3046815 0.80 PIK3CA (0.44) LGALS8LGALS3MLNR
Fumaric Acid SCHEMBL3069662 0.80 STAT3 (0.45) HRH3
SCHEMBL3064179 0.79 HRH3 (0.45) HRH3MLNR

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 L3MBTL1 4015/4885LGALS8 4503/4885LGALS3 3445/4885

“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.