SCHEMBL4025306

SCHEMBL4025306

COc1cccc(C(=O)[C@H]2CN(C(=O)CN(C)C)C[C@H](C(=O)c3cccc(OC)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
KDM2B Q8NHM5 3/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL4025311 1.00 HSD11B1 (0.41) HSD11B1KDM2BKMT2AHTTALDH1A1
SCHEMBL4026036 0.88 KMT2A (0.37) HSD11B1KDM2BKMT2AHTTALDH1A1
SCHEMBL4021758 0.88 MGLL (0.36) MGLL
SCHEMBL4021764 0.88 MGLL (0.36) MGLL
SCHEMBL4020233 0.86 HSD11B1 (0.39) HSD11B1KDM2BKMT2AHTTALDH1A1
SCHEMBL4020235 0.86 HSD11B1 (0.39) HSD11B1KDM2BKMT2AHTTALDH1A1
SCHEMBL13721388 0.86 HSD11B1 (0.39) HSD11B1KDM2BKMT2AHTTALDH1A1
SCHEMBL4022793 0.86 KMT2A (0.43) HSD11B1KDM2BKMT2AHTTALDH1A1
SCHEMBL4751581 0.86 KMT2A (0.46) HSD11B1KDM2BKMT2AHTTALDH1A1
SCHEMBL4751579 0.86 KMT2A (0.46) HSD11B1KDM2BKMT2AHTTALDH1A1

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 HSD11B1 1683/4885KDM2B 3090/4885KMT2A 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.