SCHEMBL2645937

SCHEMBL2645937

CS(=O)(=O)c1ccc(Oc2cc([N+](=O)[O-])c(N)cc2C2CCCN2C(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 5/20 0.43
▸ THRB P10828 4/20 0.38
▸ ALDH3A1 P30838 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL2646695 0.91 GCK (0.47) GCKKMT2ARIPK1HSD11B1GPR119
SCHEMBL2645563 0.84 GCK (0.44) GCKKMT2ARIPK1HSD11B1GPR119
SCHEMBL2645042 0.78 GCK (0.47) GCKKMT2AGPR119
SCHEMBL2645785 0.77 GCK (0.48) GCKKMT2A
SCHEMBL2645865 0.72 PTPN1 (0.43) ALDH3A1PTPN1KMT2ALMNA
SCHEMBL2646921 0.72 GCK (0.84) GCK
SCHEMBL2645354 0.72 GPR119 (0.48) GCKKMT2AGPR119
SCHEMBL2646489 0.71 GCK (0.69) GCK
SCHEMBL2645801 0.71 BTK (0.43) GCKKMT2ALMNA
SCHEMBL2646431 0.70 SLC6A4 (0.43) ALDH3A1PTPN1KMT2ALMNAHPGD

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 GCK 1/4885THRB 3286/4885ALDH3A1 241/4885

“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.

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