SCHEMBL4047983

SCHEMBL4047983

O=C1[C@H]2[C@@H]3C[C@@H](CN3C(=O)CCc3ccccc3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.68
CTSB P07858 2/20 0.35
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
AGTR2 P50052 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6379526 1.00 AR (0.68) ARCTSBGAARAB9AAGTR2
SCHEMBL6375479 0.92 AR (0.65) ARCTSBALDH1A1
SCHEMBL4042253 0.92 AR (0.65) ARCTSBALDH1A1
SCHEMBL5092450 0.88 AR (0.65) ARCTSBGAAALDH1A1L3MBTL1
SCHEMBL4037420 0.88 AR (0.65) ARCTSBGAAALDH1A1L3MBTL1
SCHEMBL6375514 0.88 AR (0.65) ARCTSBGAAALDH1A1L3MBTL1
SCHEMBL5099264 0.88 AR (0.65) ARCTSBGAAALDH1A1L3MBTL1
SCHEMBL4039836 0.88 AR (0.65) ARCTSBGAAALDH1A1L3MBTL1
SCHEMBL5093823 0.86 AR (0.68) ARAGTR2
SCHEMBL4038981 0.86 AR (0.63) ARCTSBGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP 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

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-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885CTSB 4427/4885GAA 4536/4885

“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.