SCHEMBL4019768

SCHEMBL4019768

COc1cccc(C(=O)[C@H]2CN(CC(O)CO)C[C@H](c3[c]cccc3OC)[C@H]2c2cccc(F)c2C)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
KDM2B Q8NHM5 7/20 0.34
MCHR1 Q99705 2/20 0.34
CACNA1G O43497 1/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 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
SCHEMBL4776361 0.94 KMT2A (0.35) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4022184 0.93 KMT2A (0.36) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4029278 0.91 KMT2A (0.36) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4026486 0.91 KMT2A (0.35) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4023604 0.87 KDM2B (0.42) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4023590 0.84 DRD4 (0.39) KMT2AHTTALDH1A1LMNAMCHR1
SCHEMBL4020367 0.84 KDM2B (0.31) KDM2B
SCHEMBL4028175 0.80 KDM2B (0.41) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4018783 0.79 KDM2B (0.43) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4018780 0.79 KDM2B (0.43) KMT2AHTTALDH1A1LMNAKDM2B

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 2 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 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 KMT2A 2820/4885HTT 2084/4885ALDH1A1 258/4885

“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.