SCHEMBL14309877

SCHEMBL14309877

CCCN(C(=O)NCc1ccccc1)N1CC(=O)N2[C@@H](c3ccccc3)C(=O)N(Cc3ccc(Cl)c(Cl)c3)C[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ SIGMAR1 Q99720 3/20 0.35
▸ UBE2M P61081 2/20 0.34
▸ DCUN1D1 Q96GG9 2/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ CLPP Q16740 1/20 0.34

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
SCHEMBL14309406 0.93 SIRT5 (0.42) ALDH1A1SIRT5MEN1KMT2ACACNA1G
SCHEMBL14309479 0.93 SIRT5 (0.36) ALDH1A1L3MBTL1SIRT5P2RX7MEN1
SCHEMBL14310169 0.92 P2RX7 (0.38) SIRT5P2RX7UBE2MDCUN1D1CACNA1G
SCHEMBL14319222 0.91 SIRT5 (0.39) ALDH1A1SIRT5MEN1KMT2ACACNA1G
SCHEMBL14309465 0.90 SIRT5 (0.39) ALDH1A1SIRT5MEN1KMT2ACACNA1G
SCHEMBL17572405 0.89 CLPP (0.47) CLPP
SCHEMBL14309887 0.89 SMN1; SMN2 (0.39) ALDH1A1SIRT5MEN1KMT2AUBE2M
SCHEMBL14504312 0.89 ALDH1A1 (0.40) ALDH1A1L3MBTL1SIRT5P2RX7PPARG
SCHEMBL14319342 0.89 CLPP (0.37) ALDH1A1SIRT5MEN1KMT2AUBE2M
SCHEMBL14308273 0.89 KMT2A (0.37) ALDH1A1L3MBTL1SIRT5MEN1KMT2A

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-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 ALDH1A1 1525/4885L3MBTL1 1275/4885SIRT5 1794/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO ALDH1A1 380/4885L3MBTL1 1321/4885SIRT5 1313/4885

“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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