SCHEMBL4589858

SCHEMBL4589858

COc1ccc([N+](=O)[O-])c(Nc2ccccc2C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.63
AKR1C2 P52895 3/20 0.63
AKR1B1 P15121 2/20 0.63
AKR1C4 P17516 2/20 0.63
AKR1C1 Q04828 2/20 0.63
AKR1B10 O60218 1/20 0.63
KMT2A Q03164 4/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
MAPK14 Q16539 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL2323586 0.82 AKR1C3 (0.69) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL2212705 0.79 AKR1C3 (0.68) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL2328747 0.78 AKR1C3 (0.63) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL1625600 0.78 AKR1C3 (0.64) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL3601730 0.78 SIRT6 (0.50) KMT2ARAB9AMEN1SMN1; SMN2ALDH1A1
SCHEMBL21113784 0.77 AKR1C3 (0.59) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL31557643 0.76 CYP24A1 (0.49) AKR1C3AKR1C2KMT2AGAARAB9A
SCHEMBL4588367 0.76 AKR1C3 (0.62) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL1272221 0.76 TRPV1 (0.43) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL4930929 0.76 MAPT (0.68) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1

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 AKR1C3 2106/4885AKR1C2 2339/4885AKR1B1 914/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG AKR1C3 2964/4885AKR1C2 3071/4885AKR1B1 1310/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG AKR1C3 2964/4885AKR1C2 3071/4885AKR1B1 1310/4885

“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.