SCHEMBL6466705

SCHEMBL6466705

COC(=O)c1c(C)[nH]c(C)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
MEN1 O00255 5/20 1.00
ALDH1A1 P00352 5/20 1.00
MAPT P10636 7/20 0.73
GAA P10253 3/20 0.73
HTT P42858 3/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
LMNA P02545 3/20 0.63
AR P10275 1/20 0.56
POLB P06746 2/20 0.56
SLC6A4 P31645 2/20 0.52
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 2/20 0.48
RAB9A P51151 1/20 0.48
SETD7 Q8WTS6 1/20 0.45
HIF1A Q16665 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL10746185 0.82 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL6468403 0.79 LMNA (0.69) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL4384277 0.78 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL6956520 0.78 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL9384922 0.77 MEN1 (0.62) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL6956135 0.76 SMN1; SMN2 (0.62) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL6464084 0.76 LMNA (0.64) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL6468908 0.76 LMNA (0.94) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL7289004 0.75 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL7266317 0.75 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR KMT2A 2015/4885MEN1 2050/4885ALDH1A1 2144/4885

“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.