SCHEMBL4878243

SCHEMBL4878243

COc1cccc([C@]2(C#N)CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.46
MGLL Q99685 3/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.43
STS P08842 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
BACE1 P56817 1/20 0.42
TGFBR1 P36897 1/20 0.41
NSD2 O96028 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4878236 1.00 KMT2A (0.52) KMT2AMEN1MGLLALDH1A1KDM4E
SCHEMBL4878245 1.00 KMT2A (0.52) KMT2AMEN1MGLLALDH1A1KDM4E
SCHEMBL4876880 0.93 KMT2A (0.54) KMT2AMEN1MGLLALDH1A1KDM4E
SCHEMBL5478441 0.89 IRAK4 (0.43) MGLLIRAK4HRH3CYP2D6
SCHEMBL5478432 0.89 IRAK4 (0.43) MGLLIRAK4HRH3CYP2D6
SCHEMBL5478436 0.89 IRAK4 (0.43) MGLLIRAK4HRH3CYP2D6
SCHEMBL3249093 0.88 KMT2A (0.63) KMT2AMEN1ALDH1A1STSLMNA
SCHEMBL31158311 0.88 KMT2A (0.63) KMT2AMEN1ALDH1A1STSLMNA
SCHEMBL4882462 0.87 KMT2A (0.57) KMT2AMGLLALDH1A1KDM4ELMNA
SCHEMBL5470184 0.87 KMT2A (0.57) KMT2AMGLLALDH1A1KDM4ELMNA

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 4 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
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 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 (2 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 3740/4885MGLL 2507/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885MEN1 3200/4885MGLL 1254/4885

“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.