SCHEMBL14309869

SCHEMBL14309869

CCCN(C(=O)NCc1ccccc1)N1CC(=O)N2[C@@H](Cc3ccccc3)C(=O)N(Cc3ccc(OC)cc3)C[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP3A4 P08684 7/20 0.45
▸ CLPP Q16740 2/20 0.43
▸ CTNNB1 P35222 2/20 0.43
▸ TCF7 P36402 2/20 0.43
▸ BCL9 O00512 1/20 0.43
▸ TCF4 P15884 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CACNA1G O43497 1/20 0.41
▸ CACNA1H O95180 1/20 0.41
▸ CACNA1I Q9P0X4 1/20 0.41

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
SCHEMBL14309405 0.97 CYP3A4 (0.49) MEN1KMT2ACYP3A4CLPPCTNNB1
SCHEMBL14504286 0.97 CYP3A4 (0.49) MEN1KMT2ACYP3A4CLPPCTNNB1
SCHEMBL14309434 0.94 CLPP (0.48) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14310092 0.92 CLPP (0.57) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14319181 0.92 CLPP (0.57) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14309879 0.91 CTNNB1 (0.51) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14319443 0.91 CLPP (0.45) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL14309421 0.91 CLPP (0.45) MEN1KMT2ACYP3A4CLPPCTNNB1
SCHEMBL14504798 0.90 HCRTR1 (0.42) CYP3A4CLPPCTNNB1TCF7BCL9
SCHEMBL13773717 0.90 CLPP (0.54) CYP3A4CLPPCTNNB1TCF7BCL9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957516-B1 ALFA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS CHOONGWAE PHARMA CORP (KR) 2016-03-09 — — EP disclosed
US-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders INSTITUTE FOR CHEMICAL GENOMICS 2008-01-10 — — US disclosed
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells INSTITUTE FOR CHEMICAL GENOMICS 2007-06-07 — — 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 (2 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-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders COL1A1, COL2A1, PLOD3 MEN1 2759/4885KMT2A 4181/4885CYP3A4 4854/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO MEN1 845/4885KMT2A 1448/4885CYP3A4 4586/4885

“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.

Send feedback