SCHEMBL3554282

SCHEMBL3554282

CO[C@H]1CCCN(c2nc(C(=O)O)cs2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
PTGER1 P34995 3/20 0.42
PIN1 Q13526 3/20 0.42
LDHA P00338 2/20 0.41
OGA O60502 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAP4K4 O95819 1/20 0.38
ACACB O00763 1/20 0.38
SCD O00767 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13634311 0.92 HRH3 (0.47) HRH3PTGER1PIN1LDHAOGA
SCHEMBL13162579 0.92 HRH3 (0.47) HRH3PTGER1PIN1LDHAOGA
SCHEMBL2770634 0.87 PTGER1 (0.41) HRH3PTGER1LDHAOGAALDH1A1
SCHEMBL13999803 0.85 ALDH1A1 (0.47) HRH3OGAALDH1A1MEN1LMNA
SCHEMBL3435877 0.84 HRH3 (0.52) HRH3PTGER1LDHAOGAALDH1A1
SCHEMBL3435749 0.82 PTGER1 (0.46) HRH3PTGER1PIN1LDHAOGA
SCHEMBL3435714 0.82 PTGER1 (0.46) HRH3PTGER1PIN1LDHAOGA
SCHEMBL13161921 0.81 HRH3 (0.60) HRH3PIN1MEN1KMT2ASCD
SCHEMBL2770015 0.81 DNM1L (0.46) HRH3PTGER1LDHAOGAALDH1A1
SCHEMBL10278217 0.80 HRH3 (0.48) HRH3PIN1OGAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HRH3 338/4885PTGER1 1115/4885PIN1 411/4885

“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.