SCHEMBL20959453

SCHEMBL20959453

O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 7/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSPB1 P04792 2/20 0.38
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ ACHE P22303 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PABPC1 P11940 1/20 0.34

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
SCHEMBL20959527 0.81 ALDH1A1 (0.35) MEN1KMT2AMAPTALDH1A1DDB1
SCHEMBL20959095 0.78 ALDH1A1 (0.44) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL1749145 0.74 HSPB1 (0.49) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL6179631 0.73 MEN1 (0.41) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL28908019 0.73 HSPB1 (0.48) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3882524 0.71 HSPB1 (0.49) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL30114540 0.71 HSPB1 (0.51) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL2814281 0.66 MAPT (0.48) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL12094284 0.66 MAPT (0.48) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL738890 0.66 HRH3 (0.55) MEN1KMT2AMAPTALDH1A1HSPB1

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
CN-111032651-A Heterocyclic compounds 武田药品工业株式会社 2020-04-17 — — CN disclosed
US-10435399-B2 HDAC6 inhibitory heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-08 — — US disclosed
US-20190135799-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-09 — — 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 (2 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-10435399-B2 HDAC6 inhibitory heterocyclic compound HDAC6, HDAC1, HDAC5 MEN1 4110/4885KMT2A 54/4885L3MBTL1 2458/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 MEN1 3135/4885KMT2A 44/4885L3MBTL1 3163/4885

“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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