SCHEMBL10207809

SCHEMBL10207809

CCc1c(OCC2COC(C)(C)O2)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK14 Q16539 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 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
SCHEMBL715091 0.99 CCNK (0.32) CCNKCDK12ADORA3KDM4EMAPK14
SCHEMBL715092 0.99 CCNK (0.32) CCNKCDK12ADORA3KDM4EMAPK14
SCHEMBL3258192 0.92 KDM4E (0.33) ADORA3KDM4ENPC1CYP1A2CYP3A4
SCHEMBL710681 0.91 KDM4E (0.32) ADORA3KDM4ENPC1CYP1A2CYP3A4
SCHEMBL710680 0.91 PDE4D (0.32) ADORA3KDM4ENPC1CYP1A2CYP3A4
SCHEMBL713725 0.90 CYP2C9 (0.38) CCNKCDK12ADORA3KDM4EMAPK14
SCHEMBL714072 0.89 CYP2C9 (0.37) CCNKCDK12ADORA3KDM4EMAPK14
SCHEMBL714073 0.89 CYP2C9 (0.37) CCNKCDK12ADORA3KDM4EMAPK14
SCHEMBL10207830 0.82 CYP2C9 (0.37) ADORA3KDM4ENPC1CYP1A2CYP3A4
SCHEMBL10207828 0.82 CYP2C9 (0.39) ADORA3KDM4ENPC1CYP1A2CYP3A4

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
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-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

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 CCNK 3122/4885CDK12 975/4885ADORA3 174/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 CCNK 2364/4885CDK12 718/4885ADORA3 488/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 CCNK 3122/4885CDK12 975/4885ADORA3 174/4885

“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.