SCHEMBL3065126

SCHEMBL3065126

O=C(Nc1ccc(Oc2cccc3c2CCN3CC(=O)N2CCN(C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
L3MBTL1 Q9Y468 4/20 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
HTR2C P28335 6/20 0.36
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 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
STAT3 P40763 1/20 0.34
HTR2B P41595 4/20 0.34
HTR2A P28223 3/20 0.34
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3057195 0.91 HTR2C (0.32) GAAHTR2CHTR2BHTR2A
SCHEMBL3060418 0.90 HTR2C (0.36) RAB9ANPC1HTR2CKDM4EALDH1A1
SCHEMBL3061625 0.87 HRH3 (0.36) SMN1; SMN2
SCHEMBL3059771 0.86 LOXL2 (0.40) GAAL3MBTL1RAB9ANPC1TNF
SCHEMBL3055934 0.85 EGLN1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL3047411 0.85 MEN1 (0.31) SMN1; SMN2
SCHEMBL3051214 0.84 HRH3 (0.35) HTR2CKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3050853 0.83 HSPB1 (0.32) GAAL3MBTL1RAB9ANPC1KDM4E
SCHEMBL3057438 0.79 NR3C1 (0.37) GAAHTR2CHTR2BHTR2ASCN9A
SCHEMBL3065125 0.79 FAAH (0.43) NPC1HIF1AEPAS1KDM4EALDH1A1

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 GAA 4287/4885L3MBTL1 4015/4885RAB9A 2502/4885

“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.