SCHEMBL2331435

SCHEMBL2331435

COCCCNC(=O)CCCCC(C)Oc1ccc2nc(-c3ccccc3)n(-c3ccc4c(c3)CCC4)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
TP53 P04637 5/20 0.40
HPGD P15428 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.36
GAA P10253 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HCRTR1 O43613 1/20 0.35
ITGAV P06756 1/20 0.35
ITGB6 P18564 1/20 0.35
BDKRB1 P46663 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2324732 0.90 HPGD (0.45) MAPTTP53HPGDKMT2AMEN1
SCHEMBL2328180 0.83 NAMPT (0.36) POLBLMNAKDM4EALDH1A1CYP3A4
SCHEMBL2327766 0.79 KDM4E (0.44) MAPTHPGDKMT2AMEN1POLB
SCHEMBL2359473 0.79 KDM4E (0.44) MAPTHPGDKMT2AMEN1POLB
SCHEMBL2327375 0.78 KMT2A (0.53) MAPTTP53HPGDKMT2AMEN1
SCHEMBL4590040 0.77 KDM4E (0.47) MAPTHPGDKMT2AMEN1POLB
SCHEMBL2329859 0.77 KDM4E (0.47) MAPTHPGDKMT2AMEN1POLB
SCHEMBL2324360 0.75 HPGD (0.47) MAPTHPGDKMT2AMEN1GAA
SCHEMBL2327764 0.74 HPGD (0.53) MAPTHPGDKMT2AMEN1BRD4
SCHEMBL2331959 0.72 HDAC1 (0.43) TP53HPGDKMT2AMEN1BRD4

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 claimed
US-20060211690-A1 Microglia inhibitors for interrupting interleukin 12 and IFNgamma-mediated immune reactions SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-21 US claimed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US claimed
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 (4 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-20060211690-A1 Microglia inhibitors for interrupting interleukin 12 and IFNgamma-mediated immune reactions IFNG, GMFG, MMP12 MAPT 342/4885TP53 3822/4885HPGD 661/4885
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 MAPT 1799/4885TP53 4468/4885HPGD 254/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPT 829/4885TP53 4001/4885HPGD 186/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPT 829/4885TP53 4001/4885HPGD 186/4885

“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.