SCHEMBL980681

SCHEMBL980681

CN(CC[As](C)C)c1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ACSS2 Q9NR19 1/20 0.41
HPGDS O60760 1/20 0.40
MCHR1 Q99705 2/20 0.40
KCNH2 Q12809 3/20 0.40

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
SCHEMBL947020 0.90 MCHR1 (0.49) GCKNPC1RAB9AACSS2HPGDS
SCHEMBL944722 0.89 GCK (0.47) GCKNPC1RAB9AHPGDSKCNH2
SCHEMBL944042 0.88 GCK (0.46) GCKNPC1RAB9AHPGDSMCHR1
SCHEMBL943283 0.88 GCK (0.45) GCKNPC1RAB9AACSS2HPGDS
SCHEMBL945579 0.86 GCK (0.47) GCKNPC1RAB9AACSS2HPGDS
SCHEMBL946413 0.85 GCK (0.49) GCKNPC1RAB9AACSS2HPGDS
SCHEMBL944372 0.85 GCK (0.51) GCKNPC1RAB9AKCNH2
SCHEMBL2669668 0.81 GCK (0.44) GCKNPC1RAB9AHPGDSKCNH2
SCHEMBL945739 0.81 GCK (0.44) GCKNPC1RAB9AACSS2HPGDS
SCHEMBL946412 0.80 GCK (0.43) GCKNPC1RAB9AACSS2HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US claimed

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-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES GLS, GCKR, HK1 GCK 4/4885NPC1 1995/4885RAB9A 3310/4885

“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.