SCHEMBL14310175

SCHEMBL14310175

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 3/20 0.42
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ELANE P08246 5/20 0.39
▸ SCD O00767 1/20 0.38
▸ CACNA1G O43497 3/20 0.38
▸ CACNA1H O95180 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14309433 0.95 CACNA1G (0.41) CACNA1ICACNA1GCACNA1HSIRT5KMT2A
SCHEMBL13773538 0.91 KMT2A (0.39) CACNA1ICACNA1GCACNA1HCYP3A4SIRT5
SCHEMBL14309463 0.90 KMT2A (0.41) CACNA1ISCDCACNA1GCACNA1HSIRT5
SCHEMBL14308209 0.89 CACNA1I (0.40) CACNA1IKCNH2HRH3ELANESCD
SCHEMBL14309921 0.88 CACNA1G (0.44) CACNA1ICACNA1GCACNA1HKMT2AMEN1
SCHEMBL13773552 0.88 MEN1 (0.51) CACNA1ICACNA1GCACNA1HCYP3A4KMT2A
SCHEMBL14310108 0.88 HDAC1 (0.39) CACNA1ICACNA1GCACNA1HSIRT5KMT2A
SCHEMBL14308269 0.88 CLPP (0.47) CACNA1IELANECYP3A4
SCHEMBL14504312 0.88 ALDH1A1 (0.40) CACNA1ICACNA1GCACNA1HSIRT5KMT2A
SCHEMBL17572599 0.87 POLB (0.40) CYP3A4KMT2AMEN1ALDH1A1SMN1; SMN2

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
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

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-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders COL1A1, COL2A1, PLOD3 CACNA1I 4868/4885KCNH2 4626/4885HRH3 1435/4885

“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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