SCHEMBL6375479

SCHEMBL6375479

O=C1C2C3CC(CN3C(=O)Cc3ccccc3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.65
CTSB P07858 2/20 0.36
MC4R P32245 2/20 0.33
MC3R P41968 2/20 0.33
MC1R Q01726 2/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 1/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4042253 1.00 AR (0.65) ARCTSBMC4RMC3RMC1R
SCHEMBL4047983 0.92 AR (0.68) ARCTSBALDH1A1
SCHEMBL6379526 0.92 AR (0.68) ARCTSBALDH1A1
SCHEMBL5092450 0.89 AR (0.65) ARCTSBKMT2AALDH1A1MEN1
SCHEMBL4037420 0.89 AR (0.65) ARCTSBKMT2AALDH1A1MEN1
SCHEMBL6375514 0.89 AR (0.65) ARCTSBKMT2AALDH1A1MEN1
SCHEMBL5099264 0.89 AR (0.65) ARCTSBKMT2AALDH1A1MEN1
SCHEMBL4039836 0.89 AR (0.65) ARCTSBKMT2AALDH1A1MEN1
SCHEMBL5093823 0.87 AR (0.68) AR
SCHEMBL4038981 0.86 AR (0.63) ARCTSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 32/4885CTSB 4693/4885MC4R 382/4885

“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.