SCHEMBL18406809

SCHEMBL18406809

CC(C)(C)OC(=O)CN1CCN(Cc2cc([N+](=O)[O-])ccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27238068 0.83 KDM5C (0.45) ALDH1A1LMNAMAPTKDM4EDRD2
SCHEMBL17155190 0.82 KDM5C (0.40) ALDH1A1KDM4EKMT2AMEN1KDM5C
SCHEMBL17152939 0.80 ALDH1A1 (0.59) ALDH1A1LMNAMAPTKDM4EKMT2A
SCHEMBL12195291 0.79 KDM4E (0.56) ALDH1A1LMNAMAPTKDM4EL3MBTL1
SCHEMBL16656263 0.79 KDM4E (0.56) ALDH1A1LMNAMAPTKDM4EL3MBTL1
SCHEMBL7469985 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL17152949 0.78 CTSB (0.44) ALDH1A1LMNAMAPTKDM4EDRD2
SCHEMBL17986173 0.78 KDM4E (0.55) ALDH1A1LMNAMAPTKDM4EKMT2A
SCHEMBL5783473 0.78 ENPP2 (0.51) ALDH1A1LMNAMAPTDRD2POLB
SCHEMBL9883952 0.77 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 — — 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-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES VPS26B, VPS4B, VPS28 ALDH1A1 4381/4885LMNA 4810/4885MAPT 3312/4885

“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.

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