SCHEMBL4257477

SCHEMBL4257477

O=C(O)Nc1cc(-c2ccccc2)sc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.54
PTPRF P10586 1/20 0.53
PTPN1 P18031 1/20 0.53
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 3/20 0.47
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
POLB P06746 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL13931442 0.75 ALDH1A1 (0.43) IKBKBPTPRFPTPN1MAPTALDH1A1
SCHEMBL4264881 0.73 GAA (0.66) IKBKBMAPTALDH1A1KDM4EHPGD
SCHEMBL3318128 0.71 TP53 (0.49) PTPN1MAPTKDM4EHPGDKMT2A
SCHEMBL974053 0.71 HDAC1 (0.56) IKBKBMAPTALDH1A1KDM4EHPGD
SCHEMBL28743858 0.70 MAPT (0.54) IKBKBMAPTALDH1A1LMNAKDM4E
SCHEMBL3070348 0.70 IKBKB (0.82) IKBKBPTPRFPTPN1MAPTJAK2
SCHEMBL1382301 0.70 IKBKB (1.00) IKBKBPTPRFPTPN1MAPTALDH1A1
SCHEMBL4266992 0.70 ALDH1A1 (0.70) IKBKBMAPTALDH1A1LMNAKDM4E
SCHEMBL10205948 0.70 ESR1 (0.66) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL9669889 0.70 HSD17B1 (0.53) IKBKBMAPTALDH1A1HPGDMEN1

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-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 IKBKB 2671/4885PTPRF 4281/4885PTPN1 3426/4885

“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.