SCHEMBL4589408

SCHEMBL4589408

Oc1ccc2nc(-c3ccccc3)n(-c3ccc(-c4ccccc4)cc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.71
ESR2 Q92731 6/20 0.71
GRIA1 P42261 1/20 0.60
CACNG8 Q8WXS5 1/20 0.60
CACNG2 Q9Y698 1/20 0.60
ALDH1A1 P00352 2/20 0.51
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK10 P53779 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
SCHEMBL2328330 0.94 ESR2 (0.70) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL5580001 0.93 ESR2 (0.68) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2330121 0.92 ESR1 (0.68) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2328008 0.90 ESR1 (0.66) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2330800 0.89 ESR1 (0.59) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2327186 0.88 ESR1 (0.63) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2323575 0.87 ESR1 (0.58) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2329244 0.87 ESR1 (0.61) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2328740 0.86 ESR1 (0.59) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9284465 0.85 ESR1 (0.59) ESR1ESR2GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345075-B2 6-[(1,2-diphenyl-1H-benzimidazol-6-yl)oxy]hexanoic acid isopropyl ester; antiinflammatory agents; microglia activators; neurodegenerative diseases SCHERING AKTIENGESELLSCHAFT (DE) 2008-03-18 US disclosed
US-7329679-B2 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US 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 (3 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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 ESR1 3338/4885ESR2 1993/4885GRIA1 90/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ESR1 2965/4885ESR2 1564/4885GRIA1 291/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ESR1 2965/4885ESR2 1564/4885GRIA1 291/4885

“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.