SCHEMBL3435741

SCHEMBL3435741

O=C(O)c1csc(-c2ccoc2)n1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HPGDS O60760 1/20 0.52
KDM4E B2RXH2 1/20 0.50
PLA2G10 O15496 1/20 0.49
ACHE P22303 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.43
PTGER1 P34995 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
SCHEMBL2077405 0.79 RAB9A (0.59) ALDH1A1KDM4ETDP1
SCHEMBL352152 0.78 HPGDS (0.73) ALDH1A1HPGDSKDM4EACHEHDAC1
SCHEMBL6786585 0.76 ALDH1A1 (0.63) ALDH1A1HPGDSKDM4EPLA2G10ACHE
SCHEMBL657641 0.76 ALDH1A1 (0.70) ALDH1A1HPGDSKDM4EHDAC1HDAC8
Hydrochloric Acid SCHEMBL6821751 0.76 HPGDS (0.71) ALDH1A1HPGDSKDM4EACHEHDAC1
SCHEMBL26319518 0.75 ALDH1A1 (0.73) ALDH1A1HPGDSKDM4EACHEHDAC1
SCHEMBL1785557 0.75 ALDH1A1 (0.73) ALDH1A1HPGDSKDM4EPLA2G10HDAC1
SCHEMBL2104811 0.75 ALDH1A1 (0.73) ALDH1A1HPGDSKDM4EPLA2G10HDAC1
SCHEMBL3536036 0.74 HPGD (0.45) ALDH1A1KDM4E
SCHEMBL24136179 0.73 ALDH1A1 (0.71) ALDH1A1HPGDSKDM4EPLA2G10ACHE

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
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-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
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

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 ALDH1A1 975/4885HPGDS 2971/4885KDM4E 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.