SCHEMBL14308231

SCHEMBL14308231

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.39
▸ CACNA1I Q9P0X4 3/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SCD O00767 1/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CACNA1G O43497 3/20 0.34
▸ CACNA1H O95180 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ SIRT5 Q9NXA8 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
SCHEMBL14309484 0.91 KMT2A (0.38) SCDCYP3A4ALDH1A1
SCHEMBL13773615 0.91 CYP3A4 (0.38) CYP3A4ALDH1A1
SCHEMBL14310170 0.89 HPGD (0.37) CACNA1ICYP3A4CACNA1GCACNA1H
SCHEMBL14309906 0.89 CACNA1G (0.39) CACNA1ICYP3A4CACNA1GCACNA1H
SCHEMBL13773612 0.89 MEN1 (0.47) CACNA1ICYP3A4CACNA1GCACNA1HALDH1A1
SCHEMBL14308209 0.88 CACNA1I (0.40) ELANECACNA1IKCNH2HRH3SCD
SCHEMBL14319229 0.88 CYP3A4 (0.34) CYP3A4
SCHEMBL14309968 0.88 CLPP (0.35) CYP3A4
SCHEMBL14308210 0.88 KDM4E (0.35) CYP3A4ALDH1A1
SCHEMBL13773704 0.88 CCR5 (0.42) CYP3A4ALDH1A1

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 ELANE 141/4885CACNA1I 4868/4885KCNH2 4626/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO ELANE 3352/4885CACNA1I 4831/4885KCNH2 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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