SCHEMBL4281646

SCHEMBL4281646

O=S(=O)(Cc1ccccc1)Nc1cnn(Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TAS2R8 Q9NYW2 1/20 0.48
PGR P06401 1/20 0.48
AR P10275 1/20 0.47
SCD O00767 2/20 0.46
SCD5 Q86SK9 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ITK Q08881 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4282988 0.84 HDAC3 (0.51) HDAC3HDAC8NCOR2L3MBTL1TAS2R8
SCHEMBL4282959 0.83 TAS2R8 (0.63) KMT2AHDAC3HDAC8NCOR2L3MBTL1
SCHEMBL4279784 0.83 AR (0.51) HDAC3HDAC8NCOR2L3MBTL1TAS2R8
SCHEMBL4286940 0.81 KMT2A (0.51) KMT2APGRARALDH1A1HPGD
SCHEMBL4287231 0.76 NR1I2 (0.56) KMT2AHDAC3HDAC8NCOR2L3MBTL1
SCHEMBL19223061 0.75 L3MBTL1 (0.57) HDAC3HDAC8NCOR2L3MBTL1TAS2R8
Hydrochloric Acid SCHEMBL28528265 0.74 L3MBTL1 (0.56) HDAC3HDAC8NCOR2L3MBTL1TAS2R8
SCHEMBL21183349 0.74 KMT2A (0.50) KMT2APGRARALDH1A1HPGD
SCHEMBL633995 0.74 KMT2A (0.76) KMT2APGRARALDH1A1HPGD
SCHEMBL18593075 0.72 HDAC3 (0.64) KMT2AHDAC3HDAC8NCOR2SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP KMT2A 871/4885HDAC3 6/4885HDAC8 176/4885

“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.