SCHEMBL7425256

SCHEMBL7425256

COc1ccc(N2CCN(CCC(=O)c3ccc(O)c(O)c3[N+](=O)[O-])CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
HTR1A P08908 4/20 0.56
P4HB P07237 1/20 0.55
SOD1 P00441 2/20 0.54
POLB P06746 1/20 0.52
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
DRD2 P14416 1/20 0.46
GFER P55789 2/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL7432258 0.82 HTR1A (0.42) KMT2AHTR1ASOD1GAAMAPT
SCHEMBL7432684 0.80 ALDH1A1 (0.43) KMT2AMEN1HTR1AALDH1A1GFER
SCHEMBL7434299 0.80 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL7428303 0.79 ALDH1A1 (0.46) KMT2AMEN1POLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL7243918 0.78 KMT2A (0.63) KMT2AMEN1HTR1ASOD1POLB
SCHEMBL7427756 0.78 KMT2A (0.46) KMT2AMEN1HTR1APOLBGAA
SCHEMBL7432350 0.77 MAPT (0.48) KMT2AMEN1HTR1APOLBMAPT
SCHEMBL7433195 0.73 KMT2A (0.43) KMT2APOLBALDH1A1KDM4E
SCHEMBL5011458 0.73 KMT2A (0.75) KMT2AMEN1HTR1ASOD1POLB
SCHEMBL6358223 0.72 HTR1A (1.00) KMT2AMEN1HTR1ASOD1POLB

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 6 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
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 disclosed
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 disclosed
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 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-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 KMT2A 2898/4885MEN1 1966/4885HTR1A 293/4885

“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.