SCHEMBL710422

SCHEMBL710422

Cc1c(OCC2COCO2)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.40
WDR5 P61964 3/20 0.40
KMT2A Q03164 3/20 0.40
ENGASE Q8NFI3 3/20 0.40
ALDH1A1 P00352 3/20 0.40
DDAH1 O94760 2/20 0.40
LMNA P02545 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TBXA2R P21731 2/20 0.40
NPY1R P25929 2/20 0.40
ADORA1 P30542 2/20 0.40
OPRM1 P35372 2/20 0.40
HTR3A P46098 2/20 0.40
FASN P49327 2/20 0.40
SARM1 Q6SZW1 2/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
HTR1A P08908 1/20 0.40
IDE P14735 1/20 0.40

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
SCHEMBL712783 0.99 CYP2C9 (0.39) CYP2C9WDR5KMT2AENGASEALDH1A1
SCHEMBL712782 0.99 CYP2C9 (0.39) CYP2C9WDR5KMT2AENGASEALDH1A1
SCHEMBL10207824 0.92 CYP2C9 (0.39) CYP2C9WDR5KMT2AENGASEALDH1A1
SCHEMBL712878 0.91 CYP2C9 (0.39) CYP2C9WDR5KMT2AENGASEALDH1A1
SCHEMBL712877 0.91 CYP2C9 (0.39) CYP2C9WDR5KMT2AENGASEALDH1A1
SCHEMBL711631 0.90 NPC1 (0.40) CYP2C9WDR5KMT2AENGASEALDH1A1
SCHEMBL714067 0.89 CYP2C9 (0.40) CYP2C9WDR5KMT2AENGASEALDH1A1
SCHEMBL714068 0.89 CYP2C9 (0.40) CYP2C9WDR5KMT2AENGASEALDH1A1
SCHEMBL13358814 0.85 NPC1 (0.41) CYP2C9WDR5KMT2AENGASEALDH1A1
SCHEMBL10207832 0.85 NPC1 (0.41) CYP2C9WDR5KMT2AENGASEALDH1A1

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 20 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 claimed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP claimed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US claimed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP claimed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US claimed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US claimed
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
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
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 CYP2C9 1229/4885WDR5 793/4885KMT2A 4213/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 CYP2C9 1734/4885WDR5 950/4885KMT2A 3821/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 CYP2C9 1229/4885WDR5 793/4885KMT2A 4213/4885

“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.