SCHEMBL1657230

SCHEMBL1657230

Cc1nnc(-c2ccc(O)cn2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRD4 O60885 1/20 0.38
AOC3 Q16853 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CA2 P00918 1/20 0.33
NOTUM Q6P988 1/20 0.33
PDK2 Q15119 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
LRRK2 Q5S007 2/20 0.31
KCNH2 Q12809 1/20 0.30
ACHE P22303 1/20 0.30
ESR1 P03372 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
SCHEMBL17297346 0.81 CCR1 (0.56) KDM4ENPSR1BRD4CCR1CCR5
SCHEMBL21597709 0.79 NPC1 (0.38) KDM4ENPSR1BRD4AOC3CCR1
SCHEMBL22445208 0.79 KDM4E (0.41) KDM4ENPSR1BRD4AOC3HDAC6
SCHEMBL930672 0.79 CA2 (0.51) KDM4ENPSR1BRD4CCR1CCR5
SCHEMBL2560638 0.78 KDM4E (0.35) GPR84KDM4ENPSR1BRD4AOC3
SCHEMBL31227734 0.77 P4HA1 (0.58) ALDH1A1HPGD
SCHEMBL19245851 0.76 KDM4E (0.36) KDM4ENPSR1BRD4CCR1CCR5
SCHEMBL21183257 0.76 LRRK2 (0.36) KDM4ENPSR1BRD4CCR1CCR5
SCHEMBL8233540 0.76 KDM4E (0.36) KDM4ENPSR1BRD4CCR1CCR5
SCHEMBL14754913 0.76 NPC1 (0.42) KDM4ENPSR1BRD4AOC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1810969-B1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES MSD KK (JP) 2013-08-07 EP disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7932394-B2 1-{[5-[4-(Methylsulfonyl)phenoxy]-2-(2-pyridinyl)-1H-benzimidazol-6-yl]methyl}-5-thioxo-2-pyrrolidinone;glucokinase activator; antidiabetic agents; obesity; prevention of retinopathy, nephropathy, neurosis, ischemic cardiopathy, arteriosclerosis; antiischemic agents; cardiotonic agents MSD K.K. (JP) 2011-04-26 US disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1810969-A1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-25 EP disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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 (2 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-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives GCK, GCKR, SLC5A1 GPR84 992/4885KDM4E 2905/4885NPSR1 2771/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 GPR84 1495/4885KDM4E 2940/4885NPSR1 4107/4885

“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.