SCHEMBL4043945

SCHEMBL4043945

O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.64
CTSB P07858 3/20 0.44
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL13964225 1.00 AR (0.64) ARCTSBALDH1A1TDP1NPC1
SCHEMBL4043950 1.00 AR (0.64) ARCTSBALDH1A1TDP1NPC1
SCHEMBL4043947 1.00 AR (0.64) ARCTSBALDH1A1TDP1NPC1
SCHEMBL6211641 1.00 AR (0.64) ARCTSBALDH1A1TDP1NPC1
SCHEMBL5865622 0.81 AR (0.42) ARHTT
SCHEMBL5865627 0.81 AR (0.42) ARHTT
SCHEMBL5865623 0.81 AR (0.42) ARHTT
SCHEMBL13964571 0.81 AR (0.42) ARALDH1A1MAPT
SCHEMBL4044762 0.79 MAPT (0.45) ARALDH1A1POLBMAPTHTT
SCHEMBL4037553 0.79 MAPT (0.45) ARALDH1A1POLBMAPTHTT

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
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US claimed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US claimed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 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-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885CTSB 4427/4885ALDH1A1 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.