SCHEMBL14505286

SCHEMBL14505286

CN(C(=O)NCc1ccccc1)N1CC(=O)N2[C@@H](c3ccccc3)C(=O)N(Cc3c(F)cccc3F)C[C@@H]21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 7/20 0.36
▸ CYP3A4 P08684 5/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CTNNB1 P35222 2/20 0.34
▸ TCF7 P36402 2/20 0.34
▸ CACNA1G O43497 2/20 0.34
▸ CACNA1H O95180 2/20 0.34
▸ CACNA1I Q9P0X4 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BCL9 O00512 1/20 0.34
▸ TCF4 P15884 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ EED O75530 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL14309381 0.94 CLPP (0.34) CLPPCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL17572699 0.92 CLPP (0.39) CLPPCYP3A4KMT2ACTNNB1TCF7
SCHEMBL14309433 0.90 CACNA1G (0.41) CLPPMEN1KMT2ASMN1; SMN2CACNA1G
SCHEMBL14309930 0.89 CLPP (0.39) CLPPMEN1KMT2ASMN1; SMN2CACNA1G
SCHEMBL14308200 0.89 KMT2A (0.39) CLPPMEN1KMT2AL3MBTL1SIGMAR1
SCHEMBL14309463 0.89 KMT2A (0.41) MEN1KMT2ASMN1; SMN2CACNA1GCACNA1H
SCHEMBL14503911 0.87 BACE1 (0.39) CLPPMEN1KMT2ASIGMAR1
SCHEMBL13774093 0.87 SIGMAR1 (0.39) CLPPMEN1KMT2ACTNNB1TCF7
SCHEMBL14504308 0.87 SMN1; SMN2 (0.41) CLPPCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL14505287 0.86 CYP3A4 (0.36) CLPPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO CLPP 2482/4885CYP3A4 4586/4885MEN1 845/4885

“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.

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