SCHEMBL4022318

SCHEMBL4022318

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN([C@@H](CN)C(N)=O)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
MGLL Q99685 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
SLC2A1 P11166 1/20 0.30
SLC2A4 P14672 1/20 0.30
CYP2D6 P10635 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
HPGDS O60760 1/20 0.30

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
SCHEMBL4021956 1.00 PARP1 (0.32) PARP1MGLLMEN1KMT2AKDM4E
SCHEMBL4022330 1.00 PARP1 (0.32) PARP1MGLLMEN1KMT2AKDM4E
SCHEMBL4026748 0.91 HPGDS (0.34) PARP1MGLLMEN1KMT2AHPGDS
SCHEMBL4026734 0.91 HPGDS (0.34) PARP1MGLLMEN1KMT2AHPGDS
SCHEMBL4022804 0.90 KIF11 (0.33) PARP1MGLL
SCHEMBL4022792 0.90 KIF11 (0.33) PARP1MGLL
SCHEMBL4019692 0.87 MAPT (0.33) MGLLMEN1KMT2A
SCHEMBL4019706 0.87 MAPT (0.33) MGLLMEN1KMT2A
SCHEMBL4022008 0.87 MAPT (0.33) MGLLMEN1KMT2A
SCHEMBL4021994 0.87 MAPT (0.33) MGLLMEN1KMT2A

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 PARP1 901/4885MGLL 2929/4885MEN1 77/4885

“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.