SCHEMBL4876880

SCHEMBL4876880

COc1cccc(C2(C#N)CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.48
CTSD P07339 1/20 0.46
CTSE P14091 1/20 0.46
BACE1 P56817 1/20 0.46
STS P08842 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HRH3 Q9Y5N1 1/20 0.43
TGFBR1 P36897 1/20 0.43
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
ABL2 P42684 1/20 0.42
MGLL Q99685 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
EPHX2 P34913 1/20 0.41
HTT P42858 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL4878245 0.93 KMT2A (0.52) KMT2AMEN1CTSDCTSEBACE1
SCHEMBL4878243 0.93 KMT2A (0.52) KMT2AMEN1CTSDCTSEBACE1
SCHEMBL4878236 0.93 KMT2A (0.52) KMT2AMEN1CTSDCTSEBACE1
SCHEMBL31158311 0.90 KMT2A (0.63) KMT2AMEN1STSALDH1A1TGFBR1
SCHEMBL3249093 0.90 KMT2A (0.63) KMT2AMEN1STSALDH1A1TGFBR1
SCHEMBL5473543 0.87 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL5475961 0.87 KMT2A (0.60) KMT2AMEN1BACE1ALDH1A1KDM4E
SCHEMBL4874949 0.86 KMT2A (0.51) KMT2AMEN1CTSDCTSEBACE1
SCHEMBL4874958 0.86 KMT2A (0.51) KMT2AMEN1CTSDCTSEBACE1
SCHEMBL4874953 0.86 KMT2A (0.51) KMT2AMEN1CTSDCTSEBACE1

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 KMT2A 1132/4885MEN1 3740/4885CTSD 2905/4885

“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.