SCHEMBL943765

SCHEMBL943765

Cn1ccc(NC(=O)c2nc(O)cc(O)n2)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
GRM5 P41594 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
HPGDS O60760 1/20 0.47
MAPT P10636 1/20 0.46
MAPK7 Q13164 1/20 0.43
PDE4B Q07343 1/20 0.42
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42

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
SCHEMBL2662057 0.77 NPC1 (0.51) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL2667078 0.77 NPC1 (0.66) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL7905661 0.74 NPC1 (0.59) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL1796312 0.74 GRM5 (0.55) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL1797125 0.74 GRM5 (0.49) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL12579765 0.74 NPC1 (0.75) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL1795083 0.73 GRM5 (0.54) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL1800369 0.73 GRM5 (0.63) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL18421576 0.73 NPC1 (0.65) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL2629347 0.73 SMN1; SMN2 (0.64) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1

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 6 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
EP-2245025-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-11-03 EP claimed
WO-2009106209-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-03 WO claimed
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
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 NPC1 1995/4885RAB9A 3310/4885GRM5 1229/4885

“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.