SCHEMBL2644544

SCHEMBL2644544

CCS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2cccnc2OC(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
RORC P51449 6/20 0.38
DRD1 P21728 3/20 0.36
GCK P35557 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL2644790 0.87 TRPV4 (0.37) TRPV4RORCDRD1GCK
SCHEMBL2645022 0.80 TRPV4 (0.39) TRPV4DRD1GCK
SCHEMBL3549191 0.80 GCK (0.47) GCK
SCHEMBL2644782 0.79 GCK (0.62) GCK
SCHEMBL2645829 0.77 GCK (0.52) GCK
SCHEMBL3547232 0.76 TRPV4 (0.32) TRPV4DRD1
SCHEMBL3544559 0.73 ALDH1A1 (0.37) TRPV4RORCDRD1GCKGAA
SCHEMBL2647146 0.70 BACE1 (0.34) GCKSMN1; SMN2
SCHEMBL3544379 0.69 GCK (0.49) GCK
SCHEMBL2644515 0.69 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 TRPV4 4394/4885RORC 4233/4885DRD1 2608/4885

“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.