SCHEMBL6441068

SCHEMBL6441068

COC(=O)c1ccc(-c2nc3ccccc3n2-c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.62
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ALDH1A1 P00352 6/20 0.57
DRD2 P14416 1/20 0.54
TBXA2R P21731 1/20 0.54
NPSR1 Q6W5P4 3/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.52
RPS6KB1 P23443 1/20 0.52
ROCK1 Q13464 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL6439134 0.89 ESR2 (0.66) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6439260 0.89 CNR2 (0.63) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6912346 0.88 ALDH1A1 (0.67) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6443505 0.86 DRD2 (0.53) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL8025747 0.84 ALDH1A1 (0.65) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL30746859 0.84 ESR1 (0.67) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6439028 0.84 ESR1 (0.67) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6441554 0.83 ALDH1A1 (0.61) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6440445 0.82 CNR2 (0.53) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL8011388 0.82 TP53 (0.66) CNR2HDAC1HDAC8HDAC6ALDH1A1

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 CNR2 340/4885HDAC1 1422/4885HDAC8 270/4885

“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.