SCHEMBL2330528

SCHEMBL2330528

COC(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.43
▸ FPR2 P25090 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36

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
SCHEMBL2330793 0.91 ALDH1A1 (0.37) LTB4RFPR2LMNAALDH1A1HTT
SCHEMBL2330523 0.85 LTB4R (0.43) LTB4RFPR2CYP1A2GAACYP2C19
SCHEMBL2324129 0.85 LTB4R (0.45) LTB4RFPR2CYP1A2GAACYP2C19
SCHEMBL2326928 0.83 LTB4R (0.45) LTB4RFPR2CYP1A2GAACYP2C19
SCHEMBL2323994 0.81 LTB4R (0.44) LTB4RFPR2CYP1A2GAACYP2C19
SCHEMBL2329703 0.77 RAB9A (0.45) LTB4RGAALMNAALDH1A1HTT
SCHEMBL2330673 0.77 ALDH1A1 (0.45) LTB4RLMNAALDH1A1HTTTDP1
SCHEMBL2323843 0.76 ALDH1A1 (0.36) LTB4RFPR2LMNAALDH1A1HTT
SCHEMBL2326758 0.76 FABP4 (0.38) LTB4RFPR2GAAALDH1A1MAPT
SCHEMBL4588630 0.76 PDE3B (0.51) LTB4RFPR2CYP1A2GAACYP2C19

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 LTB4R 135/4885FPR2 235/4885CYP1A2 13/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885FPR2 188/4885CYP1A2 52/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885FPR2 188/4885CYP1A2 52/4885

“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.

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