SCHEMBL2332092

SCHEMBL2332092

COc1ccc(Oc2ccc3nc(-c4ccccc4)n(-c4ccc(C)cc4)c3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
NPSR1 Q6W5P4 3/20 0.58
RAB9A P51151 1/20 0.58
ESRRA P11474 1/20 0.48
CYP3A4 P08684 1/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
OXTR P30559 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GLA P06280 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
G6PD P11413 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2323260 0.93 ALDH1A1 (0.53) ALDH1A1NPSR1RAB9AESRRACYP3A4
SCHEMBL2326385 0.93 ALDH1A1 (0.59) ALDH1A1NPSR1RAB9ACYP3A4HTT
SCHEMBL2330954 0.89 ESR2 (0.61) ALDH1A1NPSR1RAB9AESRRALMNA
SCHEMBL2330609 0.88 ALDH1A1 (0.59) ALDH1A1NPSR1RAB9AHTTKDM4E
SCHEMBL4589453 0.86 ALDH1A1 (0.57) ALDH1A1NPSR1RAB9ACYP3A4HTT
SCHEMBL2327293 0.85 ESRRA (0.53) ALDH1A1NPSR1RAB9AESRRALMNA
SCHEMBL4588629 0.83 FAAH (0.47) ALDH1A1NPSR1RAB9AESRRACYP3A4
SCHEMBL2323164 0.83 GLA (0.61) ALDH1A1NPSR1RAB9ACYP3A4HTT
SCHEMBL2326932 0.83 ALDH1A1 (0.59) ALDH1A1NPSR1RAB9ACYP3A4HTT
SCHEMBL6439028 0.82 ESR1 (0.67) ALDH1A1NPSR1RAB9ACYP3A4HTT

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 ALDH1A1 29/4885NPSR1 1668/4885RAB9A 2686/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885NPSR1 1912/4885RAB9A 2600/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885NPSR1 1912/4885RAB9A 2600/4885

“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.