SCHEMBL2646764

SCHEMBL2646764

CS(=O)(=O)c1ccc(Oc2cc([N+](=O)[O-])c(N)cc2Oc2cccnc2C#N)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PIN1 Q13526 3/20 0.35
ALDH1A1 P00352 5/20 0.34
MERTK Q12866 1/20 0.33
GCK P35557 1/20 0.33
IKBKB O14920 1/20 0.33
LRRK2 Q5S007 1/20 0.33
NPY1R P25929 1/20 0.33
MAPT P10636 8/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 3/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
MCL1 Q07820 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2645721 0.90 ALDH1A1 (0.36) ALDH1A1GCKIKBKBSLC22A12
SCHEMBL2644525 0.87 PIN1 (0.48) PIN1MERTKLRRK2MAPTGAA
SCHEMBL2645411 0.80 ALDH1A1 (0.34) ALDH1A1GCKSLC22A12
SCHEMBL2645062 0.78 MAPT (0.34) MEN1KMT2APIN1ALDH1A1GCK
SCHEMBL2646047 0.78 MAPT (0.39) MEN1KMT2APIN1ALDH1A1MAPT
SCHEMBL2644626 0.76 POLB (0.44) PIN1ALDH1A1LRRK2GAASLC22A12
SCHEMBL2646749 0.74 GCK (0.36) GCKIKBKBMAPT
SCHEMBL2646190 0.73 NPY1R (0.39) MEN1KMT2AGCKIKBKBNPY1R
SCHEMBL2644941 0.72 GCK (0.38) GCK
SCHEMBL2644520 0.72 GCK (0.47) 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 MEN1 4085/4885KMT2A 1946/4885PIN1 4516/4885

“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.