SCHEMBL4019451

SCHEMBL4019451

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.34
DRD4 P21917 2/20 0.33
ACKR3 P25106 1/20 0.33
TSHR P16473 1/20 0.33
BCHE P06276 1/20 0.33
AOX1 Q06278 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
MGLL Q99685 1/20 0.33
LMNA P02545 1/20 0.33
LGALS1 P09382 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL4019460 1.00 EED (0.36) EEDTP53MAPTRXFP1ALDH1A1
SCHEMBL4023484 0.90 DRD4 (0.35) TP53MAPTALDH1A1POLBDRD4
SCHEMBL4023480 0.90 DRD4 (0.35) TP53MAPTALDH1A1POLBDRD4
SCHEMBL4022089 0.90 TSHR (0.34) TP53MAPTALDH1A1POLBDRD4
SCHEMBL4022103 0.90 TSHR (0.34) TP53MAPTALDH1A1POLBDRD4
SCHEMBL4029041 0.86 KDM4E (0.38) ALDH1A1BCHEKDM4EMGLL
SCHEMBL4019455 0.86 DRD4 (0.37) TP53ALDH1A1DRD4KDM4EMGLL
SCHEMBL4019453 0.86 DRD4 (0.37) TP53ALDH1A1DRD4KDM4EMGLL
SCHEMBL4024477 0.85 ABL1 (0.37) EEDMGLL
SCHEMBL4024473 0.85 ABL1 (0.37) EEDMGLL

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 EED 1022/4885TP53 1/4885MAPT 3009/4885

“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.