SCHEMBL6094071

SCHEMBL6094071

O=C1[C@H]2[C@@H](O)CCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 1.00
CTSB P07858 5/20 0.48
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6095739 1.00 AR (1.00) ARCTSBALDH1A1GAAMAPT
SCHEMBL6096119 1.00 AR (1.00) ARCTSBALDH1A1GAAMAPT
SCHEMBL7237528 1.00 AR (1.00) ARCTSBALDH1A1GAAMAPT
SCHEMBL6095380 0.82 AR (0.71) AR
SCHEMBL5805628 0.82 AR (0.71) AR
SCHEMBL6095375 0.82 AR (0.71) AR
SCHEMBL6095733 0.79 AR (1.00) ARCTSBALDH1A1MAPTTNNI3
SCHEMBL6709741 0.78 AR (1.00) AR
SCHEMBL6095756 0.78 AR (1.00) AR
SCHEMBL6709793 0.78 AR (1.00) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992102-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-31 US disclosed
US-20040092559-A1 Bicyclic modulators of androgen receptor function HAMANN LAWRENCE (US) 2004-05-13 US disclosed
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 (2 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 1/4885CTSB 4450/4885ALDH1A1 763/4885
US-20040092559-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA AR 1/4885CTSB 4450/4885ALDH1A1 763/4885

“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.