SCHEMBL14682786

SCHEMBL14682786

CNC(CCCCNC(=O)CN=[N+]=[N-])C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ALB P02768 11/20 0.35
▸ FOLH1 Q04609 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.30

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
SCHEMBL13445978 0.89 ALB (0.41) CA2CA9ALBFOLH1MEN1
SCHEMBL14950991 0.81 FOLH1 (0.32) FOLH1
SCHEMBL15706851 0.81 FOLH1 (0.32) FOLH1
SCHEMBL22343075 0.79 ACHE (0.38) FOLH1
SCHEMBL18412629 0.79 ALDH1A1 (0.55) ALBFOLH1MEN1KMT2AALDH1A1
SCHEMBL26346638 0.79 GLP1R (0.40) ALBFOLH1
SCHEMBL13887521 0.78 CA2 (0.48) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL8477259 0.77 ALDH1A1 (0.39) ALBFOLH1MEN1KMT2AALDH1A1
SCHEMBL21964558 0.77 ALDH1A1 (0.39) ALBFOLH1MEN1KMT2AALDH1A1
SCHEMBL19646650 0.77 FOLH1 (0.44) ALBFOLH1MEN1KMT2AALDH1A1

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-8921571-B2 Pyrrolysine analogs THE OHIO STATE UNIVERSITY (US) 2014-12-30 — — US disclosed
US-20130035478-A1 PYRROLYSINE ANALOGS THE OHIO STATE UNIVERSITY (US) 2013-02-07 — — 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-20130035478-A1 PYRROLYSINE ANALOGS UROD, ALDH18A1, HMBS CA2 4259/4885CA9 2814/4885ALB 3349/4885

“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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