SCHEMBL2330523

SCHEMBL2330523

COC(=O)CCCCCOc1c([N+](=O)[O-])cc2nc(-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 0.38
▸ LMNA P02545 3/20 0.38
▸ GAA P10253 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ HDAC1 Q13547 4/20 0.34

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
SCHEMBL2323843 0.91 ALDH1A1 (0.36) LTB4RFPR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2330528 0.85 LTB4R (0.43) LTB4RFPR2LMNAGAACYP1A2
SCHEMBL2323994 0.83 LTB4R (0.44) LTB4RFPR2LMNAGAACYP1A2
SCHEMBL2330793 0.76 ALDH1A1 (0.37) LTB4RFPR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2330673 0.75 ALDH1A1 (0.45) LTB4RLMNAALDH1A1HTTMAPT
SCHEMBL2329703 0.75 RAB9A (0.45) LTB4RLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL2327476 0.74 ALDH1A1 (0.48) GAAALDH1A1HTTMAPTMEN1
SCHEMBL2324129 0.74 LTB4R (0.45) LTB4RFPR2GAACYP1A2CYP2C19
SCHEMBL2328531 0.74 SIRT2 (0.38) LTB4RLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL4588630 0.74 PDE3B (0.51) LTB4RFPR2GAACYP1A2CYP2C19

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 235/4885LMNA 4114/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885FPR2 188/4885LMNA 4128/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885FPR2 188/4885LMNA 4128/4885

“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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