SCHEMBL17803853

SCHEMBL17803853

O=C(CCC(=O)ON1C(=O)CCC1=O)NCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TPSAB1 Q15661 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ PDE5A O76074 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
SCHEMBL2380417 0.94 ALDH1A1 (0.42) TP53ALDH1A1SMN1; SMN2TPSAB1LMNA
SCHEMBL23519429 0.92 TP53 (0.37) TP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL29603305 0.91 TP53 (0.37) TP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL29742315 0.88 TP53 (0.43) TP53ALDH1A1SMN1; SMN2TPSAB1LMNA
SCHEMBL23031865 0.82 KDM4E (0.36) TP53SMN1; SMN2HTT
SCHEMBL15326722 0.82 TP53 (0.42) TP53ALDH1A1SMN1; SMN2TPSAB1LMNA
SCHEMBL16974355 0.80 TP53 (0.40) TP53ALDH1A1SMN1; SMN2HTT
SCHEMBL21300882 0.79 ALDH1A1 (0.39) TP53ALDH1A1SMN1; SMN2TPSAB1LMNA
SCHEMBL14677758 0.77 HTT (0.57) ALDH1A1TPSAB1LMNAHTT
SCHEMBL15748044 0.75 CYP3A4 (0.55) ALDH1A1TPSAB1HTT

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-20160237116-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS NOVARTIS AG 2016-08-18 — — US disclosed
US-9359400-B2 Site-specific chemoenzymatic protein modifications NOVARTIS AG (CH) 2016-06-07 — — 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-20160237116-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS PTMS, TGM3, TGM1 TP53 3892/4885ALDH1A1 3164/4885SMN1; SMN2 4867/4885

“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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