SCHEMBL5579665

SCHEMBL5579665

O=C1c2ccccc2C(=O)N1c1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.83
ESR2 Q92731 5/20 0.83
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CLTC Q00610 1/20 0.48
LMNA P02545 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
SCN2A Q99250 2/20 0.47
RECQL P46063 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL16655162 0.82 ESR1 (0.57) ESR1ESR2LMNANR1H2NR1H3
SCHEMBL11863055 0.82 ESR1 (0.57) ESR1ESR2POLBLMNASCN2A
SCHEMBL11305617 0.82 ESR1 (0.57) ESR1ESR2TDP1LMNANR1H2
SCHEMBL5846779 0.80 LMNA (0.61) ESR1ESR2POLBTDP1LMNA
SCHEMBL11618288 0.78 MASP2 (0.63) ESR1ESR2LMNANR1H3RECQL
SCHEMBL30657601 0.78 ESR1 (0.59) ESR1ESR2TDP1LMNAMEN1
SCHEMBL6563795 0.78 ESR1 (0.59) ESR1ESR2TDP1LMNAMEN1
SCHEMBL5579693 0.76 GRM5 (0.57) ESR1ESR2POLBMEN1KMT2A
SCHEMBL4620082 0.76 RECQL (0.59) ESR1ESR2POLBTDP1CLTC
SCHEMBL29895481 0.76 RECQL (0.59) ESR1ESR2POLBTDP1CLTC

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
US-20070004713-A1 Therapeutic benimidazole compounds ASTRAZENECA AB (SE) 2007-01-04 US disclosed
EP-1341768-A1 THERAPEUTIC BENZIMIDAZOLE COMPOUNDS AstraZeneca AB (SE) 2003-09-10 EP disclosed
WO-2002046168-A1 THERAPEUTIC BENZIMIDAZOLE COMPOUNDS ASTRAZENECA AB (SE) 2002-06-13 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-20070004713-A1 Therapeutic benimidazole compounds ESR2, ESRRA, ESRRB ESR1 6/4885ESR2 1/4885POLB 2272/4885

“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.