SCHEMBL25405967

SCHEMBL25405967

CC(C)(C)OC(=O)NCCCCCn1ncc([N+](=O)[O-])c1C=C(CC#N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ DRD2 P14416 7/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CACNA1G O43497 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32

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
SCHEMBL26291956 0.90 DRD2 (0.34) CA12CA1CA2CA9CYP3A4
SCHEMBL25408932 0.83 TDP1 (0.41) CA12CA1CA2CA9CYP3A4
SCHEMBL26291939 0.76 TDP1 (0.42) CA12CA1CA2CA9CYP3A4
SCHEMBL25407920 0.76 TDP1 (0.45) CA12CA1CA2CA9CYP3A4
SCHEMBL26291990 0.74 NAMPT (0.35) CA1CA2TDP1BRD4LMNA
SCHEMBL25408853 0.70 AR (0.35) —
SCHEMBL24289368 0.69 TDP1 (0.45) CA12CA1CA2CA9CYP3A4
SCHEMBL29544458 0.68 GAA (0.40) CA12CA1CA2CA9TDP1
SCHEMBL2518419 0.67 STK17B (0.46) CA12CA1CA2CA9CYP3A4
SCHEMBL29265242 0.67 ALDH1A1 (0.47) CA12CA1CA2CA9CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263903-A1 PYRAZOLOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-08-24 — — 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-20230263903-A1 PYRAZOLOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF KCNJ5, IL5, CYP3A5 CA12 410/4885CA1 157/4885CA2 498/4885

“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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