SCHEMBL14308209

SCHEMBL14308209

CCCN(C(=O)NCc1ccccc1)N1CC(=O)N2[C@@H](c3ccccc3)C(=O)N(Cc3ccncc3)C[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 3/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ELANE P08246 5/20 0.37
▸ SCD O00767 1/20 0.36
▸ CACNA1G O43497 3/20 0.36
▸ CACNA1H O95180 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CLPP Q16740 1/20 0.34
▸ ALDH1A1 P00352 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 0.95 SIRT5 (0.42) CACNA1ISIRT5CACNA1GCACNA1HMEN1
SCHEMBL14319222 0.91 SIRT5 (0.39) CACNA1ISIRT5CACNA1GCACNA1HCYP3A4
SCHEMBL14309465 0.91 SIRT5 (0.39) CACNA1ISIRT5SCDCACNA1GCACNA1H
SCHEMBL14310169 0.89 P2RX7 (0.38) CACNA1ISIRT5CACNA1GCACNA1HCLPP
SCHEMBL14309871 0.89 MEN1 (0.48) CACNA1ICACNA1GCACNA1HCYP3A4MEN1
SCHEMBL14309902 0.89 CACNA1G (0.41) CACNA1ISIRT5CACNA1GCACNA1HMEN1
SCHEMBL14308271 0.89 CLPP (0.45) CACNA1ISIRT5ELANECYP3A4CLPP
SCHEMBL14310175 0.89 CACNA1I (0.42) CACNA1ISIRT5KCNH2HRH3ELANE
SCHEMBL14309877 0.88 ALDH1A1 (0.38) CACNA1ISIRT5CACNA1GCACNA1HMEN1
SCHEMBL14308231 0.88 ELANE (0.39) CACNA1ISIRT5KCNH2HRH3ELANE

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 CACNA1I 4868/4885SIRT5 1794/4885KCNH2 4626/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO CACNA1I 4831/4885SIRT5 1313/4885KCNH2 3814/4885

“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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