SCHEMBL3059999

SCHEMBL3059999

CCOC(=O)c1c(C)c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
POLB P06746 1/20 0.52
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.45
HSPB1 P04792 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ELANE P08246 3/20 0.41

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
SCHEMBL3059977 0.82 NOD2 (0.46) MAPTPOLBTP53HSPB1KDM4E
SCHEMBL2232538 0.79 MAOB (0.56) MAPTPOLBPKMHSPB1KDM4E
SCHEMBL9400659 0.76 MAPT (0.78) MAPTPOLBTP53PKMNPC1
SCHEMBL3059209 0.76 MAPT (0.51) MAPTPOLBTP53PKMHSPB1
SCHEMBL3066687 0.75 NOD2 (0.44) MAPTPOLBHSPB1KDM4ENPC1
SCHEMBL3069511 0.74 MAPT (0.48) MAPTPOLBTP53PKMHSPB1
SCHEMBL3060997 0.73 NOD2 (0.42) MAPTPOLBTP53HSPB1KDM4E
SCHEMBL3067639 0.73 ALOX15 (0.49) MAPTHSPB1KDM4ENPC1RAB9A
SCHEMBL3057302 0.73 HSPB1 (0.47) MAPTPOLBHSPB1KDM4ENPC1
SCHEMBL3064467 0.71 L3MBTL1 (0.55) MAPTHSPB1KDM4ENPC1RAB9A

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 MAPT 4138/4885POLB 4006/4885TP53 309/4885

“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.