SCHEMBL3554233

SCHEMBL3554233

CN(c1nc(C(=O)O)cs1)C1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.36
CASP8 Q14790 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PI4KB Q9UBF8 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TYR P14679 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CFTR P13569 1/20 0.34
ACACB O00763 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 2/20 0.33
PLA2G10 O15496 1/20 0.33

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
SCHEMBL13999818 0.83 RAB9A (0.45) CASP8ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3550038 0.79 ALDH1A1 (0.39) UCHL1ALDH1A1PI4KBNPC1RAB9A
SCHEMBL3435744 0.76 UCHL1 (0.35) UCHL1ALDH1A1PI4KBNPC1RAB9A
SCHEMBL13634218 0.76 ALDH1A1 (0.36) UCHL1ALDH1A1NPC1RAB9ATYR
SCHEMBL2770812 0.75 CSF1R (0.39) L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL13162307 0.73 UCHL1 (0.36) UCHL1ALDH1A1PI4KBNPC1RAB9A
SCHEMBL986229 0.71 L3MBTL1 (0.49) L3MBTL1ALDH1A1RAB9AHSD17B10MAPT
SCHEMBL3557500 0.71 CASP8 (0.48) UCHL1CASP8L3MBTL1ALDH1A1PLA2G10
Bromide SCHEMBL3528035 0.70 L3MBTL1 (0.47) L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL12985225 0.68 GABRP (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2CFTR

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
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 UCHL1 2365/4885CASP8 3488/4885L3MBTL1 3953/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 UCHL1 1509/4885CASP8 1889/4885L3MBTL1 3267/4885

“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.