SCHEMBL5093403

SCHEMBL5093403

CCOC(=O)/C=C/c1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.49
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
AKR1B1 P15121 1/20 0.43
HPGD P15428 3/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 2/20 0.43
DPP4 P27487 2/20 0.43
HSP90AA1 P07900 2/20 0.43
CCR6 P51684 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TTR P02766 1/20 0.43
BACE1 P56817 1/20 0.43
KDM4A O75164 1/20 0.43

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
SCHEMBL3173753 0.89 ALDH1A1 (0.50) STAT3RAB9ALMNAALDH1A1DPP4
SCHEMBL3173742 0.89 ALDH1A1 (0.50) STAT3RAB9ALMNAALDH1A1DPP4
SCHEMBL3159026 0.89 RAB9A (0.48) STAT3RAB9ALMNAALDH1A1EGFR
SCHEMBL3159031 0.89 RAB9A (0.48) STAT3RAB9ALMNAALDH1A1EGFR
SCHEMBL8806241 0.86 STAT3 (0.43) STAT3RAB9ALMNAALDH1A1EGFR
SCHEMBL8806236 0.86 STAT3 (0.43) STAT3RAB9ALMNAALDH1A1EGFR
SCHEMBL6171625 0.86 DPP4 (0.46) STAT3RAB9ALMNAALDH1A1AKR1B1
SCHEMBL6171630 0.86 DPP4 (0.46) STAT3RAB9ALMNAALDH1A1AKR1B1
SCHEMBL4876757 0.85 STAT3 (0.52) STAT3RAB9ALMNAALDH1A1EGFR
SCHEMBL4876750 0.85 STAT3 (0.52) STAT3RAB9ALMNAALDH1A1EGFR

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-7339059-B2 Benzofurans and indols ACTIVE BIOTECH AB (SE) 2008-03-04 US disclosed
US-20050192288-A1 Benzofuran-2-yl-carbonyl- and indol-2-yl-carbonyl-trans-2,5-dimethyl-piperazine derivatives; rheumatoid arthritis, multiple sclerosis, systemic lupus erythematosus, inflammatory bowel disease, asthma; inhibit the interaction between inflammatory chemokines and their receptor ACTIVE BIOTECH AB (SE) 2005-09-01 US 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-20050192288-A1 Benzofuran-2-yl-carbonyl- and indol-2-yl-carbonyl-trans-2,5-dimethyl-piperazine derivatives; rheumatoid arthritis, multiple sclerosis, systemic lupus erythematosus, inflammatory bowel disease, asthma; inhibit the interaction between inflammatory chemokines and their receptor CXCR1, CCR2, CXCR5 STAT3 128/4885RAB9A 2710/4885LMNA 2564/4885

“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.