SCHEMBL6094594

SCHEMBL6094594

O=C1C2C[C@@H](OCc3ccccc3)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.66
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
CTSB P07858 3/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CTSL P07711 1/20 0.33
CTSK P43235 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
MMP9 P14780 1/20 0.32
BCHE P06276 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL7227693 0.79 AR (1.00) ARCTSBMEN1KMT2AALDH1A1
SCHEMBL7228589 0.79 AR (1.00) ARCTSBMEN1KMT2AALDH1A1
SCHEMBL6769429 0.73 ITGB2 (0.72) ITGB2ICAM1ITGALCTSBMEN1
SCHEMBL6095733 0.73 AR (1.00) ARCTSBKMT2AMAPTALDH1A1
SCHEMBL7228657 0.72 AR (0.93) ARCTSBMEN1KMT2AMAPT
SCHEMBL5093823 0.70 AR (0.68) AR
SCHEMBL5099241 0.69 AR (0.61) ARCTSBMEN1KMT2APOLB
SCHEMBL14033323 0.69 AR (0.61) ARCTSBMEN1KMT2APOLB
SCHEMBL4042253 0.68 AR (0.65) ARCTSBMEN1KMT2AALDH1A1
SCHEMBL6375479 0.68 AR (0.65) ARCTSBMEN1KMT2AALDH1A1

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 3 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-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 1/4885ITGB2 2517/4885ICAM1 4580/4885

“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.