SCHEMBL5088693

SCHEMBL5088693

O=C1[C@H]2[C@@H]3C[C@@H](CN3C(=O)Nc3ccc(F)cc3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.57
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MDM2 Q00987 1/20 0.34
CTSB P07858 1/20 0.34
GRIN2B Q13224 1/20 0.34
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
CASP3 P42574 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 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
SCHEMBL4042538 0.89 AR (0.62) ARALDH1A1KMT2ALMNACASP3
SCHEMBL5097865 0.89 AR (0.53) ARALDH1A1THRBKMT2ALMNA
SCHEMBL6212104 0.89 AR (0.53) ARALDH1A1THRBKMT2ALMNA
SCHEMBL4040446 0.87 AR (0.59) ARALDH1A1CTSBLMNA
SCHEMBL14033476 0.87 AR (0.59) ARALDH1A1CTSBLMNA
SCHEMBL6492936 0.85 AR (0.77) ARALDH1A1CTSBKMT2A
SCHEMBL14033682 0.85 AR (0.52) ARPOLBGRIN2BCASP3
SCHEMBL4041163 0.85 AR (0.52) ARPOLBGRIN2BCASP3
SCHEMBL6381838 0.85 AR (0.62) ARGAACTSB
SCHEMBL4048159 0.85 AR (0.62) ARGAACTSB

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 5 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-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 (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-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 AR 32/4885POLB 4094/4885ALDH1A1 4495/4885

“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.