SCHEMBL7432202

SCHEMBL7432202

O=C1CCc2cc(O)c(O)c([N+](=O)[O-])c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
TTR P02766 2/20 0.36
GPR35 Q9HC97 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
GRIN2D O15399 1/20 0.33

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
SCHEMBL7428171 0.90 KMT2A (0.39) KMT2ATTRGPR35KDM4EMEN1
SCHEMBL7432592 0.90 KMT2A (0.39) KMT2ATTRGPR35KDM4EMEN1
SCHEMBL19869338 0.82 ALDH1A1 (0.39) KMT2AALDH1A1MAPTALOX15RECQL
SCHEMBL7436432 0.80 TTR (0.33) KMT2ATTRGPR35KDM4EMEN1
SCHEMBL7436428 0.80 TTR (0.33) KMT2ATTRGPR35KDM4EMEN1
SCHEMBL4686035 0.78 GPR35 (0.41) KMT2AGPR35ALDH1A1MAPTHPGD
SCHEMBL31607330 0.75 KMT2A (0.41) KMT2AMEN1POLBGRIN2DGRIN3B
SCHEMBL1608810 0.74 KDM4E (0.44) KMT2ATTRGPR35KDM4EMEN1
SCHEMBL7514906 0.74 GRIN2D (0.33) KMT2ATTRGPR35KDM4EMEN1
SCHEMBL7514913 0.74 GRIN2D (0.33) KMT2ATTRGPR35KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1454203-A Substituted nitrated catechols, their use in the treatment of certain central and peripheral nervous system disorders and pharmaceutical compositions containing them PORTELA & CA SA (PT) 2003-11-05 CN 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 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 2898/4885TTR 791/4885GPR35 1196/4885

“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.