SCHEMBL3052830

SCHEMBL3052830

CCOC(=O)c1cc2cccc(Oc3ccc([N+](=O)[O-])cn3)c2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
MAPT P10636 10/20 0.45
POLB P06746 2/20 0.45
HSPB1 P04792 2/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RGS12 O14924 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
AR P10275 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3069511 0.85 MAPT (0.48) NOD2NOD1MAPTPOLBHSPB1
SCHEMBL3059977 0.80 NOD2 (0.46) NOD2NOD1MAPTPOLBHSPB1
SCHEMBL3059209 0.79 MAPT (0.51) NOD2NOD1MAPTPOLBHSPB1
SCHEMBL14276271 0.77 MAPK14 (0.39) NOD2NOD1MAPTKDM4EALDH1A1
SCHEMBL3560535 0.76 NOD2 (0.48) NOD2NOD1MAPTPOLBKDM4E
SCHEMBL3059148 0.76 RAB9A (0.54) NOD1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL13690239 0.75 TP53 (0.41) NOD2NOD1MAPTKDM4ERAB9A
SCHEMBL14276270 0.75 KDR (0.39) NOD2NOD1MAPTPOLBKDM4E
SCHEMBL7884857 0.74 KMT2A (0.47) NOD2NOD1MAPTKDM4EALDH1A1
SCHEMBL4049497 0.73 PPARG (0.41) NOD2NOD1MAPTKDM4ERAB9A

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 NOD2 2445/4885NOD1 582/4885MAPT 4138/4885

“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.