SCHEMBL6439150

SCHEMBL6439150

COc1ccc(Nc2ccccc2[N+](=O)[O-])c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.62
AKR1C2 P52895 6/20 0.62
AKR1B10 O60218 2/20 0.58
AKR1B1 P15121 2/20 0.58
AKR1C4 P17516 2/20 0.58
AKR1C1 Q04828 2/20 0.58
GAA P10253 2/20 0.56
MAPT P10636 9/20 0.51
MAPK1 P28482 4/20 0.51
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
HPGD P15428 2/20 0.50
CASP7 P55210 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL4588367 0.89 AKR1C3 (0.62) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2323586 0.86 AKR1C3 (0.69) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL23682559 0.82 TDP1 (0.54) AKR1C3AKR1C2GAAMAPTMAPK1
SCHEMBL9094091 0.82 AKR1C3 (0.82) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL15667439 0.82 HTT (0.69) AKR1C3AKR1C2GAAMAPTMAPK1
SCHEMBL4055339 0.80 MAPK1 (0.62) AKR1C3AKR1C2GAAMAPTMAPK1
SCHEMBL10639862 0.80 GAA (0.72) GAAALDH1A1KMT2ARAB9AMEN1
SCHEMBL11518667 0.80 ALDH1A1 (0.53) AKR1C3AKR1C2GAAMAPTMAPK1
SCHEMBL6565464 0.80 ALDH1A1 (0.51) AKR1C3AKR1C2GAAMAPTMAPK1
SCHEMBL30615696 0.80 MAPT (0.64) AKR1C3AKR1C2GAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517897-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 US disclosed
WO-2004000817-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO 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-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 AKR1C3 634/4885AKR1C2 789/4885AKR1B10 610/4885

“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.