SCHEMBL7227693

SCHEMBL7227693

O=C1C2C[C@@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 1.00
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CTSB P07858 3/20 0.45
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7228589 1.00 AR (1.00) ARMEN1KMT2ACTSBKDM4E
SCHEMBL6094594 0.79 AR (0.66) ARMEN1KMT2ACTSBGAA
SCHEMBL6095733 0.79 AR (1.00) ARKMT2ACTSBKDM4EL3MBTL1
SCHEMBL7228657 0.78 AR (0.93) ARMEN1KMT2ACTSBKDM4E
SCHEMBL7237528 0.77 AR (1.00) ARCTSBKDM4EL3MBTL1GAA
SCHEMBL6096119 0.77 AR (1.00) ARCTSBKDM4EL3MBTL1GAA
SCHEMBL6095739 0.77 AR (1.00) ARCTSBKDM4EL3MBTL1GAA
SCHEMBL6094071 0.77 AR (1.00) ARCTSBKDM4EL3MBTL1GAA
SCHEMBL4590947 0.74 AR (0.58) ARCTSBGAAALDH1A1
SCHEMBL3191134 0.74 AR (0.58) ARCTSBGAAALDH1A1

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-6670386-B2 For therapy of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
US-20030055094-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-03-20 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-20030055094-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA AR 1/4885MEN1 3920/4885KMT2A 2827/4885

“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.