SCHEMBL2644698

SCHEMBL2644698

CCS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2cccnc2Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.36
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
EPX P11678 1/20 0.34
LPO P22079 1/20 0.34
GRM4 Q14833 2/20 0.34
GCK P35557 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
G6PD P11413 1/20 0.32
MAPT P10636 1/20 0.32
SCN9A Q15858 3/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3539198 0.91 NFE2L2 (0.42) NFE2L2GCKSMN1; SMN2SCN9APTGS1
SCHEMBL2647146 0.87 BACE1 (0.34) NFE2L2GRM4GCKSMN1; SMN2SCN9A
SCHEMBL2645411 0.84 ALDH1A1 (0.34) NFE2L2GCKSMN1; SMN2ALDH1A1
SCHEMBL2644790 0.83 TRPV4 (0.37) NFE2L2GCKSCN9A
SCHEMBL2645796 0.82 MAPT (0.39) GCKSMN1; SMN2MAPT
SCHEMBL2647005 0.80 EGLN1 (0.39) GCKSCN9A
SCHEMBL2645858 0.80 POLB (0.42) SMN1; SMN2SCN9AALDH1A1POLBCYP3A4
SCHEMBL2644356 0.79 CACNA1C (0.39) GCKSCN9A
SCHEMBL2644608 0.79 TRPA1 (0.41)
SCHEMBL2644799 0.78 GCK (0.54) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US 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 (1 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 NFE2L2 216/4885MPO 733/4885TPO 4250/4885

“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.