SCHEMBL7228657

SCHEMBL7228657

O=C1C2CCCCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.93

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.93
CTSB P07858 3/20 0.59
MAPT P10636 4/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
DDAH1 O94760 1/20 0.38

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
SCHEMBL6095733 0.96 AR (1.00) ARCTSBMAPTTNNI3TNNT2
SCHEMBL3187856 0.79 AR (0.62) ARCTSBMAPTTNNI3TNNT2
SCHEMBL6094071 0.78 AR (1.00) ARCTSBMAPTTNNI3TNNT2
SCHEMBL6095739 0.78 AR (1.00) ARCTSBMAPTTNNI3TNNT2
SCHEMBL7237528 0.78 AR (1.00) ARCTSBMAPTTNNI3TNNT2
SCHEMBL6096119 0.78 AR (1.00) ARCTSBMAPTTNNI3TNNT2
SCHEMBL7227693 0.78 AR (1.00) ARCTSBALDH1A1KDM4ETDP1
SCHEMBL7228589 0.78 AR (1.00) ARCTSBALDH1A1KDM4ETDP1
SCHEMBL3603749 0.75 CTSB (1.00) ARCTSBMAPTTNNI3TNNT2
SCHEMBL12543451 0.74 AR (0.55) ARMAPTSMN1; SMN2ALDH1A1MAPK1

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 1/4885CTSB 4450/4885MAPT 3371/4885

“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.