SCHEMBL3056900

SCHEMBL3056900

CCOC(=O)CN1CCc2c(Oc3ccc([N+](=O)[O-])cn3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 4/20 0.41
HSPB1 P04792 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
RGS12 O14924 1/20 0.39
LMNA P02545 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3055715 0.88 HSPB1 (0.43) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL27603425 0.80 MAPT (0.44) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL3063589 0.80 L3MBTL1 (0.45) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL3060205 0.77 HTR2C (0.41) MAPTKDM4ELOXL2LMNAHTR2C
SCHEMBL3050849 0.74 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL3050853 0.73 HSPB1 (0.32) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL3657463 0.70 MAPT (0.41) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL6255747 0.70 MAPT (0.50) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL3069511 0.69 MAPT (0.48) ALDH1A1MAPTKDM4EL3MBTL1RAB9A
SCHEMBL3052830 0.69 NOD2 (0.46) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2

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 ALDH1A1 741/4885MAPT 4138/4885KDM4E 2634/4885

“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.