SCHEMBL2079765

SCHEMBL2079765

O=C(O)c1csc(-c2ccc(O)nc2)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.62
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.49
PLA2G10 O15496 1/20 0.48
PTPN1 P18031 1/20 0.45
ACHE P22303 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL5345259 0.83 HPGDS (0.61) HPGDSALDH1A1KDM4EPLA2G10PTPN1
SCHEMBL1785557 0.80 ALDH1A1 (0.73) HPGDSALDH1A1KDM4EPLA2G10PTPN1
SCHEMBL2141265 0.80 ALDH1A1 (0.61) HPGDSALDH1A1KDM4EPLA2G10TLR7
SCHEMBL2079627 0.79 RAB9A (0.65) HPGDSALDH1A1TLR7
SCHEMBL14107700 0.78 HPGDS (0.66) HPGDSALDH1A1KDM4EPLA2G10ACHE
SCHEMBL3436072 0.78 ALDH1A1 (0.59) HPGDSALDH1A1KDM4EPLA2G10PTPN1
SCHEMBL2311294 0.77 HPGDS (1.00) HPGDSALDH1A1KDM4EPTPN1ACHE
SCHEMBL2104811 0.77 ALDH1A1 (0.73) HPGDSALDH1A1KDM4EPLA2G10PTPN1
SCHEMBL26319518 0.77 ALDH1A1 (0.73) HPGDSALDH1A1KDM4EPTPN1ACHE
SCHEMBL352152 0.76 HPGDS (0.73) HPGDSALDH1A1KDM4EPTPN1ACHE

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
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 CN 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
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN 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 HPGDS 2971/4885ALDH1A1 975/4885KDM4E 1834/4885

“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.