SCHEMBL4029428

SCHEMBL4029428

COC(=O)Cc1ccc(OCc2ccc(CN(C)c3nc(-c4ccccc4)cs3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 4/20 0.49
APP P05067 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GSTO1 P78417 2/20 0.48
HTT P42858 1/20 0.47
PTPRB P23467 2/20 0.47
ALOX5 P09917 2/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CPB1 P15086 1/20 0.43
PTPRF P10586 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL4038361 0.91 KMT2A (0.53) KMT2AMEN1NPSR1MAPTAPP
SCHEMBL1746563 0.91 KMT2A (0.49) KMT2AMEN1NPSR1MAPTAPP
SCHEMBL1744670 0.85 FFAR1 (0.57) KMT2AMEN1NPSR1MAPTL3MBTL1
SCHEMBL1745362 0.84 NPSR1 (0.48) KMT2AMEN1NPSR1MAPTL3MBTL1
SCHEMBL1746617 0.83 KMT2A (0.50) KMT2AMEN1NPSR1MAPTL3MBTL1
SCHEMBL3917024 0.80 NPSR1 (0.53) KMT2AMEN1NPSR1MAPTL3MBTL1
SCHEMBL1745444 0.80 KMT2A (0.48) KMT2AMEN1NPSR1MAPTL3MBTL1
SCHEMBL1747338 0.79 KMT2A (0.56) KMT2AMEN1NPSR1MAPTAPP
SCHEMBL1747402 0.79 FFAR1 (0.48) KMT2AMEN1NPSR1MAPTAPP
SCHEMBL1746853 0.79 FFAR1 (0.57)

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
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK KMT2A 705/4885MEN1 3721/4885NPSR1 3713/4885

“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.