SCHEMBL5097865

SCHEMBL5097865

O=C1[C@H]2[C@@H]3C[C@@H](CN3C(=O)Nc3ccc(F)c(Cl)c3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.53
MAPT P10636 10/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 2/20 0.33
LHCGR P22888 1/20 0.33

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
SCHEMBL6212104 1.00 AR (0.53) ARMAPTALDH1A1MEN1THRB
SCHEMBL5088693 0.89 AR (0.57) ARALDH1A1THRBKMT2ALMNA
SCHEMBL7209724 0.86 AR (0.48) ARMAPT
SCHEMBL5093719 0.86 AR (0.48) ARMAPT
SCHEMBL6381838 0.81 AR (0.62) ARMAPT
SCHEMBL4048159 0.81 AR (0.62) ARMAPT
SCHEMBL4042538 0.81 AR (0.62) ARMAPTALDH1A1MEN1KMT2A
SCHEMBL5099264 0.80 AR (0.65) ARALDH1A1MEN1KMT2A
SCHEMBL6375514 0.80 AR (0.65) ARALDH1A1MEN1KMT2A
SCHEMBL4039836 0.80 AR (0.65) ARALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US claimed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 US claimed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US claimed
EP-1299385-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-04-09 EP claimed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 WO claimed
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 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-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 AR 32/4885MAPT 4832/4885ALDH1A1 4495/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885MAPT 4504/4885ALDH1A1 4518/4885

“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.