SCHEMBL2327802

SCHEMBL2327802

Oc1ccc2nc(-c3cccc(C(F)(F)F)c3)n(-c3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.47
GRIA1 P42261 1/20 0.45
CACNG8 Q8WXS5 1/20 0.45
CACNG2 Q9Y698 1/20 0.45
GAA P10253 1/20 0.44
GSR P00390 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL2330444 0.93 ESR1 (0.52) ESR1ESR2KMT2AMEN1KDM4E
SCHEMBL8011141 0.86 GSR (0.55) ESR1ESR2KMT2AMEN1KDM4E
SCHEMBL2328330 0.85 ESR2 (0.70) ESR1ESR2KMT2AMEN1KDM4E
SCHEMBL2324624 0.84 ESR1 (0.58) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL2323739 0.83 ALDH1A1 (0.45) KMT2AMEN1KDM4ECYP1A2CYP2C9
SCHEMBL2329716 0.81 ESR1 (0.56) ESR1ESR2KMT2AMEN1KDM4E
SCHEMBL5580001 0.81 ESR2 (0.68) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL2323600 0.80 ESR1 (0.57) ESR1ESR2KMT2AMEN1KDM4E
SCHEMBL4589408 0.79 ESR1 (0.71) ESR1ESR2KMT2AMEN1KDM4E
SCHEMBL22507244 0.79 ESR1 (0.52) ESR1ESR2KMT2AMEN1KDM4E

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 10 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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO 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 1993/4885KMT2A 3421/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ESR1 2965/4885ESR2 1564/4885KMT2A 2759/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ESR1 2965/4885ESR2 1564/4885KMT2A 2759/4885

“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.