SCHEMBL6439809

SCHEMBL6439809

CC(C)NC(=O)c1ccc(-c2nc3ccccc3n2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.48
MCL1 Q07820 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PIN1 Q13526 2/20 0.45
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
CACNG2 Q9Y698 1/20 0.44
VDR P11473 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL6443505 0.87 DRD2 (0.53) ESR1ESR2NPC1RAB9AL3MBTL1
SCHEMBL6442091 0.87 NR4A1 (0.56) ESR1ESR2NPC1RAB9AL3MBTL1
SCHEMBL6438788 0.86 ESR2 (0.62) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL6440445 0.80 CNR2 (0.53) ESR1ESR2RAB9AALDH1A1HDAC1
SCHEMBL6441554 0.79 ALDH1A1 (0.61) ESR1ESR2RAB9AALDH1A1HDAC1
SCHEMBL6439734 0.79 ESR2 (0.60) ESR1ESR2NPC1GRIA1CACNG8
SCHEMBL6438803 0.76 ESR2 (0.62) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL6440804 0.76 ESR2 (0.62) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL6439260 0.74 CNR2 (0.63) ESR1ESR2NPC1RAB9APIN1
SCHEMBL8249074 0.73 HDAC1 (0.64) ESR1ESR2ALDH1A1HDAC1PKM

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 MDM2 665/4885MCL1 4108/4885ESR1 1/4885

“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.