SCHEMBL13445978

SCHEMBL13445978

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 11/20 0.41
▸ FOLH1 Q04609 3/20 0.38
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ NOD1 Q9Y239 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL14682786 0.89 CA2 (0.37) ALBFOLH1CA2CA9SMN1; SMN2
SCHEMBL18145414 0.81 FOLH1 (0.61) FOLH1
SCHEMBL22712960 0.81 FOLH1 (0.61) FOLH1
SCHEMBL18145412 0.81 FOLH1 (0.61) FOLH1
SCHEMBL13448062 0.81 FOLH1 (0.39) ALBFOLH1NOD1
SCHEMBL16446180 0.81 FOLH1 (0.39) ALBFOLH1NOD1
SCHEMBL14674508 0.80 ALDH1A1 (0.46) ALBFOLH1MEN1KMT2A
SCHEMBL15625939 0.80 ALDH1A1 (0.46) ALBFOLH1MEN1KMT2A
SCHEMBL22691090 0.80 OTC (0.52) CA2CA9NOD1MEN1KMT2A
SCHEMBL13464207 0.80 OTC (0.52) CA2CA9NOD1MEN1KMT2A

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-8293206-B2 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-10-23 — — US disclosed
US-20100074910-A1 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 — — 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-20100074910-A1 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment MKI67, CD47, CD68 ALB 237/4885FOLH1 12/4885CA2 1165/4885

“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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