SCHEMBL13428558

SCHEMBL13428558

O=C(O)/C=C/c1cnc(NCCS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 4/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
PKM P14618 1/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
NAMPT P43490 1/20 0.37
PYGL P06737 1/20 0.37
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL13429144 0.89 HDAC1 (0.47) KDM4EKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL13428477 0.84 KMT2A (0.46) KDM4EKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL8171306 0.80 RAB9A (0.38) KDM4EKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL3227025 0.79 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTITGB2
SCHEMBL3227039 0.79 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTITGB2
SCHEMBL8189431 0.78 KMT2A (0.47) KDM4EKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL8188218 0.77 KDM4E (0.39) KDM4EKMT2AHSD17B10MEN1ALDH1A1
Hydrochloric Acid SCHEMBL3227374 0.77 ALDH1A1 (0.47) KDM4EALDH1A1ITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL3227383 0.77 ALDH1A1 (0.47) KDM4EALDH1A1ITGB2ICAM1ITGAL
SCHEMBL13428556 0.75 ALDH1A1 (0.46) ALDH1A1RAB9A

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 KDM4E 253/4885KMT2A 31/4885HSD17B10 147/4885

“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.