SCHEMBL16574791

SCHEMBL16574791

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.47
▸ GABRR1 P24046 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.40
▸ TBXAS1 P24557 2/20 0.35
▸ NOS1 P29475 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ IDUA P35475 1/20 0.33
▸ DDAH1 O94760 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
SCHEMBL16574757 0.94 LTA4H (0.46) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL16920503 0.94 LTA4H (0.46) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL27809324 0.88 GABRR1 (0.46) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL19507936 0.84 CA1 (0.31) BLMNOS1MEN1NOS3CYP2C19
SCHEMBL5612647 0.79 BLM (0.54) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL15995454 0.77 CA2 (0.57) NOS1DDAH1
SCHEMBL17193565 0.77 — —
SCHEMBL14704268 0.77 — —
SCHEMBL15317631 0.77 — —
SCHEMBL14164388 0.76 NOS2 (0.58) BLMCYP1A2NOS1MEN1NOS3

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
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 — — 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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 BLM 2366/4885GABRR1 2707/4885CYP1A2 3352/4885
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R BLM 3719/4885GABRR1 1323/4885CYP1A2 4833/4885

“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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