SCHEMBL2328008

SCHEMBL2328008

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.66
ESR2 Q92731 2/20 0.66
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
GRIA1 P42261 1/20 0.53
CACNG8 Q8WXS5 1/20 0.53
CACNG2 Q9Y698 1/20 0.53
AOC3 Q16853 3/20 0.51
KCNH2 Q12809 1/20 0.51
PTGS2 P35354 1/20 0.51
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CASP3 P42574 1/20 0.48

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
SCHEMBL2323575 0.95 ESR1 (0.58) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL4589408 0.90 ESR1 (0.71) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL2328330 0.90 ESR2 (0.70) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL2330121 0.88 ESR1 (0.68) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL2329716 0.87 ESR1 (0.56) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL2327124 0.87 GAA (0.56) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL5580001 0.86 ESR2 (0.68) ESR1ESR2GAAGRIA1CACNG8
SCHEMBL23024881 0.84 RAB9A (0.66) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL2327186 0.84 ESR1 (0.63) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL2329244 0.83 ESR1 (0.61) ESR1ESR2GAAGRIA1CACNG8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246808-B1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION BAYER SCHERING PHARMA AG (DE) 2011-08-17 EP disclosed
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
EP-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 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 (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 1993/4885NPC1 961/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ESR1 2965/4885ESR2 1564/4885NPC1 1216/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ESR1 2965/4885ESR2 1564/4885NPC1 1216/4885

“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.