SCHEMBL7513063

SCHEMBL7513063

CC(=O)Oc1ccc(C(C)=O)c([N+](=O)[O-])c1OC(C)=O.c1cc2cc-2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
CFD P00746 1/20 0.41
RECQL P46063 2/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CCR6 P51684 1/20 0.39

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
SCHEMBL7429307 0.83 BCL9 (0.41) MAPK1RECQLMAPTMEN1KMT2A
SCHEMBL7513057 0.75 PTPN1 (0.43) MAPK1RECQLMAPTMEN1KMT2A
SCHEMBL7282880 0.75 SMN1; SMN2 (0.44) MAPK1RECQLMAPTMEN1KMT2A
SCHEMBL7647318 0.75 TSHR (0.49) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL27575919 0.73 HSP90AA1 (0.56) RECQLMAPTMEN1KMT2AALDH1A1
SCHEMBL7425250 0.72 SMN1; SMN2 (0.39) MAPK1RECQLMAPTMEN1KMT2A
SCHEMBL7426625 0.72 MAPT (0.41) MAPK1RECQLMAPTMEN1KMT2A
SCHEMBL7426634 0.72 MAPT (0.41) MAPK1RECQLMAPTMEN1KMT2A
SCHEMBL7432671 0.72 NPC1 (0.41) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL23290095 0.70 PKM (0.65) MAPTMEN1KMT2AALDH1A1POLB

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 2 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

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 MAPK1 1779/4885CFD 2574/4885RECQL 1204/4885

“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.