SCHEMBL7434951

SCHEMBL7434951

COc1c(O)ccc(C(=O)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
MAPT P10636 5/20 0.51
HTT P42858 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
CYP2C19 P33261 1/20 0.50
HRH1 P35367 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDE4D Q08499 1/20 0.50
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL27448977 0.86 MAPT (0.55) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL31029775 0.85 PKM (0.60) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL10935400 0.85 MAPK1 (0.48) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL5898857 0.81 MEN1 (0.47) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL5898858 0.81 MAPT (0.67) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL7767220 0.81 MAPT (0.60) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL27677640 0.80 MAPK1 (0.47) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL31620996 0.80 SMN1; SMN2 (0.53) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL28175682 0.80 PKM (0.70) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL25381912 0.79 MAPT (0.64) LMNAMAPTHTTSMN1; SMN2NPSR1

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 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 LMNA 4086/4885MAPT 379/4885HTT 649/4885

“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.