SCHEMBL7425246

SCHEMBL7425246

CCOC(=O)Oc1ccc(C(=O)Cc2ccccc2)c([N+](=O)[O-])c1OC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HIF1A Q16665 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
ABCB1 P08183 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
SCHEMBL7429279 0.89 ABCB1 (0.47) MAPTALDH1A1L3MBTL1LMNAMEN1
SCHEMBL7437517 0.87 ABCB1 (0.40) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7431459 0.84 HPGD (0.39) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL7513057 0.84 PTPN1 (0.43) MAPTALDH1A1HIF1ASMN1; SMN2LMNA
SCHEMBL7429291 0.82 BCL9 (0.41) MAPTALDH1A1L3MBTL1HIF1ASMN1; SMN2
SCHEMBL7425250 0.79 SMN1; SMN2 (0.39) MAPTALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL5898877 0.74 LMNA (0.46) MAPTALDH1A1L3MBTL1HIF1APKM
SCHEMBL1655883 0.73 MDM2 (0.40) MAPTALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL7429793 0.72 ABCB1 (0.42) MAPTALDH1A1HIF1ASMN1; SMN2LMNA
SCHEMBL7432671 0.71 NPC1 (0.41) MAPTALDH1A1SMN1; SMN2LMNAMEN1

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-20020037931-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them PORTELA & C.A., S.A. (PT) 2002-03-28 US claimed
EP-1167341-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them Portela & Ca., S.A. (PT) 2002-01-02 EP claimed
WO-2001098250-A1 SUBSTITUTED NITRATED CATECHOLS, THEIR USE IN THE TREATMENT OF SOME CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PORTELA & CA SA (PT) 2001-12-27 WO claimed

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-20020037931-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them SLC6A2, COMT, SLC6A3 MAPT 379/4885ALDH1A1 477/4885L3MBTL1 4668/4885

“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.