SCHEMBL4021972

SCHEMBL4021972

CC(=O)N1CCN(C(=O)CN2CC(C(=O)c3ccccc3)C(c3cccc(C)c3C)C(C(=O)c3ccccc3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 7/20 0.42
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KIF11 P52732 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4021968 1.00 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL4023694 1.00 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL4021223 0.92 KMT2A (0.42) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL4021226 0.92 KMT2A (0.42) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL4020222 0.89 MAPT (0.39) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL4022022 0.89 MEN1 (0.45) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL4022026 0.89 MEN1 (0.45) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL4020218 0.89 MAPT (0.39) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL4025506 0.89 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KIF11
SCHEMBL4025509 0.89 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KIF11

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 ALDH1A1 258/4885KMT2A 2820/4885LMNA 315/4885

“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.