SCHEMBL3056040

SCHEMBL3056040

Nc1ccc(Oc2cccc3c2ccn3CC(=O)N2CCN(C(Cc3ccccc3)C3=COCO3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.43
CXCR3 P49682 1/20 0.34
PPARG P37231 4/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 2/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRIN2B Q13224 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 3/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3059771 0.85 LOXL2 (0.40) LOXL2KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL10181012 0.84 LOXL2 (0.38) LOXL2CXCR3KDM4ETSHRGRIN2B
SCHEMBL3047411 0.83 MEN1 (0.31) MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL3058665 0.77 OPRM1 (0.38) MAPTHRH3
SCHEMBL3058613 0.77 F2 (0.35) CXCR3PPARGPPARDPPARAGRIN2B
SCHEMBL3061625 0.75 HRH3 (0.36) MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL3055934 0.75 EGLN1 (0.32) MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL3056037 0.75 LMNA (0.53) LOXL2KDM4EMEN1KMT2AMAPT
SCHEMBL3050853 0.73 HSPB1 (0.32) PPARGKDM4EL3MBTL1MEN1KMT2A
SCHEMBL3057097 0.73 STAT3 (0.39) MEN1KMT2AHRH3

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 LOXL2 2070/4885CXCR3 277/4885PPARG 1152/4885

“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.