SCHEMBL4020606

SCHEMBL4020606

COc1ccccc1C(=O)[C@H]1CN(CC(=O)N(C)C)C[C@H](C(=O)c2ccccc2OC)C1c1cccc(F)c1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
PIN1 Q13526 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SLC6A1 P30531 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4027702 1.00 KDM2B (0.40) KDM2BMEN1KMT2AGAARAB9A
SCHEMBL4024341 0.87 KMT2A (0.34) MEN1KMT2APIN1ALDH1A1GRIN2B
SCHEMBL4019242 0.87 KMT2A (0.34) MEN1KMT2APIN1ALDH1A1GRIN2B
SCHEMBL4025103 0.86 KDM2B (0.41) KDM2BMEN1KMT2AGAARAB9A
SCHEMBL4024177 0.86 EED (0.36) MEN1KMT2APOLBALDH1A1SLC6A1
SCHEMBL4022107 0.86 EED (0.36) MEN1KMT2APOLBALDH1A1SLC6A1
SCHEMBL4751758 0.85 DRD4 (0.35) MEN1KMT2AGAASMN1; SMN2NPC1
SCHEMBL4751756 0.85 DRD4 (0.35) MEN1KMT2AGAASMN1; SMN2NPC1
SCHEMBL4026851 0.84 KMT2A (0.44) KDM2BMEN1KMT2AGAAL3MBTL1
SCHEMBL4026855 0.84 KMT2A (0.44) KDM2BMEN1KMT2AGAAL3MBTL1

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 KDM2B 3090/4885MEN1 77/4885KMT2A 2820/4885

“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.