SCHEMBL712117

SCHEMBL712117

CCc1c(OCC2COC(C)(C)OC2)ccnc1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.39
CNR2 P34972 2/20 0.36
ACACB O00763 7/20 0.36
APP P05067 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
SCHEMBL718105 0.76 APP (0.37) IRAK4ACACBAPP
SCHEMBL718094 0.75 APP (0.41) IRAK4CNR2ACACBAPP
SCHEMBL714506 0.70 ALDH1A1 (0.36)
SCHEMBL713489 0.66 APP (0.38) IRAK4CNR2ACACBAPP
SCHEMBL30726834 0.64 LTB4R (0.36)
SCHEMBL27071641 0.64 LTB4R (0.36)
SCHEMBL27791796 0.62 LTB4R (0.35)
SCHEMBL27071657 0.61 IKBKB (0.34)
SCHEMBL10762280 0.60 APP (0.53) ACACBAPP
SCHEMBL14784686 0.60 MEN1 (0.36)

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 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-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 IRAK4 2424/4885CNR2 1200/4885ACACB 2421/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 IRAK4 1962/4885CNR2 1447/4885ACACB 2134/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 IRAK4 2424/4885CNR2 1200/4885ACACB 2421/4885

“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.