SCHEMBL25407690

SCHEMBL25407690

CC(C)(C)OC(=O)NCc1ccc(Cn2ncc([N+](=O)[O-])c2CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ NAMPT P43490 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL25406875 0.87 NAMPT (0.42) GAANAMPTL3MBTL1CA1CA2
SCHEMBL25407942 0.86 GAA (0.46) GAANAMPTL3MBTL1CA1CA2
SCHEMBL25407920 0.78 TDP1 (0.45) CA1CA2CA12CA9TDP1
SCHEMBL26291990 0.76 NAMPT (0.35) GAANAMPTL3MBTL1CA1CA2
SCHEMBL19268475 0.76 LMNA (0.53) GAAMAPTNPSR1CYP1A2CYP3A4
SCHEMBL8650394 0.74 L3MBTL1 (0.42) GAANAMPTL3MBTL1CA1CA2
SCHEMBL372131 0.73 PPARG (0.51) GAANAMPTL3MBTL1CA1CA2
SCHEMBL3101339 0.72 TSHR (0.51) GAAMAPTNPSR1CYP1A2CYP2D6
SCHEMBL1164796 0.72 L3MBTL1 (0.56) GAANAMPTL3MBTL1CA1CA2
SCHEMBL3180689 0.71 L3MBTL1 (0.61) GAANAMPTL3MBTL1CA1CA2

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-20230263903-A1 PYRAZOLOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-08-24 — — US disclosed
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 GAA 4096/4885NAMPT 2270/4885L3MBTL1 4797/4885

“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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