SCHEMBL14319218

SCHEMBL14319218

COc1ccc(CN2C[C@H]3N(C(=O)CN3N(C)C(=O)NCc3ccccc3)[C@@H](Cc3ccccc3)C2=O)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 4/20 0.44
▸ HCRTR2 O43614 2/20 0.44
▸ CLPP Q16740 2/20 0.44
▸ 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
▸ CYP3A4 P08684 8/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14319416 0.97 CTNNB1 (0.48) HCRTR1HCRTR2CLPPCTNNB1TCF7
SCHEMBL14309868 0.90 MEN1 (0.51) CLPPCTNNB1TCF7BCL9TCF4
SCHEMBL14504798 0.89 HCRTR1 (0.42) HCRTR1HCRTR2CLPPCTNNB1TCF7
SCHEMBL14309426 0.89 CLPP (0.51) CLPPCTNNB1TCF7BCL9TCF4
SCHEMBL14319413 0.89 PDE4A (0.40) HCRTR1HCRTR2CYP3A4NPC1TP53
SCHEMBL17572593 0.88 CYP3A4 (0.44) HCRTR1HCRTR2CLPPCYP3A4
SCHEMBL14319418 0.87 CLPP (0.45) HCRTR1HCRTR2CLPPCTNNB1TCF7
SCHEMBL14309886 0.87 CLPP (0.48) CLPPCTNNB1TCF7BCL9TCF4
SCHEMBL14319440 0.87 CLPP (0.47) CLPPCTNNB1TCF7BCL9TCF4
SCHEMBL14309878 0.87 CTNNB1 (0.54) CLPPCTNNB1TCF7BCL9TCF4

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 HCRTR1 3564/4885HCRTR2 3733/4885CLPP 2188/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO HCRTR1 3838/4885HCRTR2 4295/4885CLPP 2482/4885

“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