SCHEMBL4026855

SCHEMBL4026855

COc1ccc(C(=O)C2CN(CC(=O)N(C)C)CC(C(=O)c3ccc(OC)cc3)C2c2cccc(F)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 3/20 0.42
KDM2B Q8NHM5 5/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
P2RX3 P56373 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC18A3 Q16572 3/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL4026851 1.00 KMT2A (0.44) KMT2AALDH1A1GAAMEN1KDM2B
SCHEMBL4027951 0.91 KDM2B (0.43) KMT2AALDH1A1MEN1KDM2BGRIN2B
SCHEMBL4027956 0.91 KDM2B (0.43) KMT2AALDH1A1MEN1KDM2BGRIN2B
SCHEMBL4019756 0.90 GRIN2B (0.40) KMT2AMEN1GRIN1GRIN2B
SCHEMBL4019761 0.90 GRIN2B (0.40) KMT2AMEN1GRIN1GRIN2B
SCHEMBL4019987 0.90 KMT2A (0.39) KMT2AALDH1A1MEN1GRIN2B
SCHEMBL4019982 0.90 KMT2A (0.39) KMT2AALDH1A1MEN1GRIN2B
SCHEMBL4019575 0.87 EED (0.37) KMT2AMEN1L3MBTL1
SCHEMBL4019577 0.87 EED (0.37) KMT2AMEN1L3MBTL1
SCHEMBL4026485 0.86 ALDH1A1 (0.48) KMT2AALDH1A1GAAMEN1KDM2B

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 KMT2A 2820/4885ALDH1A1 258/4885GAA 350/4885

“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.