SCHEMBL4933113

SCHEMBL4933113

COc1ccc(-n2c(=S)[nH]c3cnccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
HPGD P15428 3/20 0.66
MAPT P10636 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ATM Q13315 1/20 0.56
PKM P14618 1/20 0.52
KDM4E B2RXH2 3/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
CHUK O15111 1/20 0.46
ACHE P22303 1/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.43
CUL4A Q13619 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
SCHEMBL15550780 0.83 TNKS (0.51) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL17437483 0.81 PDE7A (0.53) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL4932698 0.77 HPGD (0.73) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL4924906 0.75 PKM (0.69) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL4928393 0.75 ALDH1A1 (0.66) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL4930256 0.75 MAPT (0.66) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL4931641 0.73 ALDH1A1 (0.63) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL4934253 0.73 HPGD (0.63) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL4921699 0.72 MAPT (0.66) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL540452 0.71 DRD1 (0.58) ALDH1A1HPGDSMN1; SMN2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 ALDH1A1 1870/4885HPGD 1922/4885MAPT 4574/4885

“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.