SCHEMBL3059771

SCHEMBL3059771

O=C(Nc1ccc(Oc2cccc3c2ccn3CC(=O)N2CCN(C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.40
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
HIF1A Q16665 2/20 0.35
EPAS1 Q99814 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 3/20 0.34
STAT3 P40763 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10181012 0.90 LOXL2 (0.38) LOXL2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3065126 0.86 GAA (0.39) GAAL3MBTL1RAB9ANPC1TNF
SCHEMBL3056040 0.85 LOXL2 (0.43) LOXL2L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL3061812 0.83 HIF1A (0.53) LOXL2GAAL3MBTL1RAB9ANPC1
SCHEMBL3059769 0.79 LMNA (0.46) LOXL2NPC1HIF1AEPAS1KDM4E
SCHEMBL3057195 0.78 HTR2C (0.32) GAA
SCHEMBL3069482 0.77 RAB9A (0.53) GAAL3MBTL1RAB9ANPC1TNF
SCHEMBL3060418 0.76 HTR2C (0.36) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL3056981 0.74 RAB9A (0.51) GAAL3MBTL1RAB9ANPC1TNF
SCHEMBL3058094 0.73 LOXL2 (0.44) LOXL2RAB9AKDM4EALDH1A1MAPT

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 2070/4885GAA 4287/4885L3MBTL1 4015/4885

“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.