SCHEMBL4019982

SCHEMBL4019982

Cc1c(F)cccc1C1[C@@H](C(=O)c2ccccc2)CN(CC(=O)N(C)C)C[C@@H]1C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.35
EED O75530 2/20 0.35
RORC P51449 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GRIN2B Q13224 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
RIPK1 Q13546 1/20 0.33
DRD4 P21917 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL4019987 1.00 KMT2A (0.39) KMT2AMEN1ALDH1A1EEDRORC
SCHEMBL4019756 0.92 GRIN2B (0.40) KMT2AMEN1EEDMAPK1GRIN2B
SCHEMBL4019761 0.92 GRIN2B (0.40) KMT2AMEN1EEDMAPK1GRIN2B
SCHEMBL4021029 0.91 KMT2A (0.44) KMT2AMEN1ALDH1A1RORCKDM4E
SCHEMBL4021027 0.91 KMT2A (0.44) KMT2AMEN1ALDH1A1RORCKDM4E
SCHEMBL4780209 0.91 KIF11 (0.36) KMT2AMEN1ALDH1A1EEDMAPK1
SCHEMBL4019577 0.91 EED (0.37) KMT2AMEN1EEDMAPK1LMNA
SCHEMBL4019575 0.91 EED (0.37) KMT2AMEN1EEDMAPK1LMNA
SCHEMBL4019095 0.90 KMT2A (0.39) KMT2AMEN1ALDH1A1EEDRORC
SCHEMBL4021848 0.90 KMT2A (0.39) KMT2AMEN1ALDH1A1EEDRORC

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 2820/4885MEN1 77/4885ALDH1A1 258/4885

“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.