SCHEMBL710680

SCHEMBL710680

CCc1c(OCC2COC(C)(C)OC2)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1.[NaH]

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2C9 P11712 4/20 0.31
NPC1 O15118 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
WDR5 P61964 3/20 0.30
KMT2A Q03164 3/20 0.30
ENGASE Q8NFI3 3/20 0.30
DDAH1 O94760 3/20 0.30
LMNA P02545 2/20 0.30

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
SCHEMBL3258192 0.99 KDM4E (0.33) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL710681 0.98 KDM4E (0.32) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL715091 0.92 CCNK (0.32) KDM4EADORA3
SCHEMBL10207809 0.91 CCNK (0.33) KDM4ECYP2C9NPC1CYP1A2CYP3A4
SCHEMBL715092 0.90 CCNK (0.32) KDM4EADORA3
SCHEMBL711792 0.90 CYP2C9 (0.39) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL712132 0.89 CYP2C9 (0.40) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL711793 0.88 CYP2C9 (0.39) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL714898 0.84 CYP2C9 (0.38) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL713971 0.83 CYP2C9 (0.37) PDE4DPDE5APDE4APDE4BPDE4C

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 7 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
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-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
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

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 PDE4D 3274/4885PDE5A 2921/4885PDE4A 3327/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 PDE4D 3620/4885PDE5A 3684/4885PDE4A 3534/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 PDE4D 3274/4885PDE5A 2921/4885PDE4A 3327/4885

“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.