SCHEMBL943387

SCHEMBL943387

Cn1ccc(NC(=O)c2cc(NCC3CCCCC3)nc(Oc3ccccc3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.43
KCNH2 Q12809 5/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGDS O60760 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39

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
SCHEMBL2656936 0.82 NPC1 (0.50) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL2656157 0.82 NPC1 (0.44) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL943385 0.81 GCK (0.43) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL944216 0.81 GCK (0.49) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL944631 0.80 GCK (0.51) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL943092 0.78 NPC1 (0.50) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL2669560 0.75 WNT1 (0.46) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL947020 0.75 MCHR1 (0.49) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL945579 0.75 GCK (0.47) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL12579496 0.74 GCK (0.48) GCKKCNH2MEN1KMT2A

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 2 patents. 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
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US 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-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES GLS, GCKR, HK1 GCK 4/4885KCNH2 1830/4885NPC1 1995/4885

“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.