SCHEMBL4874949

SCHEMBL4874949

COc1cccc([C@]2(C#N)CC[C@@H](NC3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.49
STS P08842 2/20 0.44
TGFBR1 P36897 2/20 0.44
NSD2 O96028 1/20 0.44
EPHX2 P34913 1/20 0.42
PARP1 P09874 2/20 0.42
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDH1 O75874 1/20 0.40
IDH2 P48735 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
SCHEMBL4874958 1.00 KMT2A (0.51) KMT2AALDH1A1MEN1STSTGFBR1
SCHEMBL4874953 1.00 KMT2A (0.51) KMT2AALDH1A1MEN1STSTGFBR1
SCHEMBL5470274 0.88 KMT2A (0.56) KMT2AALDH1A1MEN1NSD2EPHX2
SCHEMBL5465691 0.88 KMT2A (0.56) KMT2AALDH1A1MEN1TSHRMAPT
SCHEMBL5470275 0.88 KMT2A (0.56) KMT2AALDH1A1MEN1NSD2EPHX2
SCHEMBL5465686 0.88 KMT2A (0.56) KMT2AALDH1A1MEN1TSHRMAPT
SCHEMBL5465681 0.88 KMT2A (0.56) KMT2AALDH1A1MEN1TSHRMAPT
SCHEMBL3249093 0.87 KMT2A (0.63) KMT2AALDH1A1MEN1STSTGFBR1
SCHEMBL31158311 0.87 KMT2A (0.63) KMT2AALDH1A1MEN1STSTGFBR1
SCHEMBL4878245 0.86 KMT2A (0.52) KMT2AALDH1A1MEN1STSTGFBR1

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 1132/4885ALDH1A1 2899/4885MEN1 3740/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885ALDH1A1 2990/4885MEN1 3200/4885

“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.