SCHEMBL5629412

SCHEMBL5629412

[CH2]C(=O)Nc1nnc(CC)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
RAB9A P51151 7/20 0.61
NPC1 O15118 5/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KAT8 Q9H7Z6 1/20 0.59
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
OPRK1 P41145 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL28759581 0.85 ATM (0.67) ATMRAB9ANPC1ALDH1A1GAA
SCHEMBL5629418 0.83 RAB9A (0.68) ATMRAB9ANPC1ALDH1A1GAA
SCHEMBL14192408 0.81 KAT8 (0.69) ATMRAB9ANPC1ALDH1A1GAA
SCHEMBL6374705 0.81 RAB9A (0.69) ATMRAB9ANPC1ALDH1A1GAA
SCHEMBL8832776 0.79 KAT8 (0.74) ALDH1A1GAASMN1; SMN2KAT8MAPT
SCHEMBL8282186 0.79 KAT8 (0.65) ATMRAB9ANPC1ALDH1A1GAA
SCHEMBL12354953 0.79 KAT8 (0.65) ATMRAB9ANPC1ALDH1A1GAA
SCHEMBL8308646 0.77 GAA (0.60) ATMRAB9ANPC1ALDH1A1GAA
SCHEMBL29353446 0.76 KAT8 (0.61) ATMRAB9ANPC1ALDH1A1GAA
SCHEMBL8834429 0.76 ALDH1A1 (0.63) ATMRAB9ANPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 US disclosed
US-7129249-B2 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2006-10-31 US disclosed
US-20050131016-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-06-16 US disclosed
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1485371-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2004-12-15 EP disclosed
WO-2003074513-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-09-12 WO 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 (3 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-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans PYGL, PYGM, GYS1 ATM 4028/4885RAB9A 558/4885NPC1 935/4885
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase PYGL, GYS2, GYS1 ATM 3711/4885RAB9A 398/4885NPC1 1575/4885
US-20050131016-A1 Chemical compounds PYGL, GYS1, CA9 ATM 3979/4885RAB9A 560/4885NPC1 642/4885

“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.