SCHEMBL3606782

SCHEMBL3606782

CC(=O)c1ccc(Oc2cc(OC(C)C)cc(C(=O)Nc3nccs3)c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.64
KCNH2 Q12809 2/20 0.52
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL3603877 0.91 GCK (0.62) GCKKCNH2RAB9ANPC1
SCHEMBL19774475 0.89 GCK (0.65) GCKKCNH2RAB9ANPC1
SCHEMBL3603874 0.89 GCK (0.64) GCKKCNH2RAB9ANPC1
SCHEMBL3607092 0.87 GCK (0.61) GCKKCNH2
SCHEMBL3600304 0.87 GCK (0.61) GCKKCNH2
SCHEMBL1380947 0.87 GCK (0.69) GCKKCNH2
SCHEMBL13255153 0.86 GCK (0.80) GCKKCNH2
SCHEMBL2657877 0.82 GCK (0.77) GCKKCNH2
SCHEMBL3605077 0.82 GCK (0.60) GCKKCNH2
SCHEMBL2657597 0.81 GCK (0.75) GCKKCNH2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US claimed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US claimed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US claimed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP claimed
EP-1600442-B1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE MSD KK (JP) 2018-01-17 EP disclosed
US-20140171486-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton BONAC CORPORATION (JP) 2014-06-19 US disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK GCK 1/4885KCNH2 470/4885RAB9A 3584/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 GCK 1/4885KCNH2 1033/4885RAB9A 2308/4885

“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.