SCHEMBL6440804

SCHEMBL6440804

O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2nc3ccccc3n2-c2ccc(O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.62
ESR1 P03372 5/20 0.62
GRIA1 P42261 1/20 0.58
CACNG8 Q8WXS5 1/20 0.58
CACNG2 Q9Y698 1/20 0.58
HPGDS O60760 1/20 0.51
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTGS2 P35354 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
RECQL P46063 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
TACR3 P29371 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL6439734 0.90 ESR2 (0.60) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6441554 0.88 ALDH1A1 (0.61) ESR2ESR1HPGDSALDH1A1CYP3A4
SCHEMBL6438788 0.87 ESR2 (0.62) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL7061814 0.83 ESR2 (0.77) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6438803 0.81 ESR2 (0.62) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6438936 0.81 HPGDS (0.52) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL9007262 0.80 ESR2 (0.91) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440249 0.80 ESR2 (0.91) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6445980 0.79 ESR2 (0.71) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440445 0.79 CNR2 (0.53) ESR2ESR1ALDH1A1CYP3A4HDAC1

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 ESR2 3/4885ESR1 1/4885GRIA1 1481/4885

“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.