SCHEMBL5097882

SCHEMBL5097882

O=C1[C@H]2[C@@H]3C[C@@H](CN3C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.57
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
VCAM1 P19320 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 3/20 0.37
F2 P00734 1/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX5 P09917 1/20 0.35
NPY1R P25929 1/20 0.35
MC4R P32245 1/20 0.35
NPY2R P49146 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
SCHEMBL5088722 0.91 AR (0.49) ARMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4042740 0.89 AR (0.63) ARSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL4038981 0.89 AR (0.63) ARSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL4048739 0.89 AR (0.63) ARSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL4040446 0.87 AR (0.59) ARSMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL14033476 0.87 AR (0.59) ARSMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL6376932 0.85 AR (0.57) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL6212517 0.85 AR (0.57) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL4219668 0.85 AR (0.57) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL5090667 0.85 AR (0.54) ARSMN1; SMN2ALDH1A1MAPTHTT

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 9 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
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 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 (3 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 32/4885MEN1 1414/4885KMT2A 1096/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885MEN1 2447/4885KMT2A 2085/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885MEN1 2447/4885KMT2A 2085/4885

“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.