SCHEMBL26291990

SCHEMBL26291990

CCOC(=O)/C(=C/c1c([N+](=O)[O-])cnn1Cc1ccc(CNC(=O)OC(C)(C)C)cc1)CC#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.35
▸ NSD2 O96028 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPT P10636 4/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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 0.84 DRD2 (0.34) MAPTNPSR1KDM4EALDH1A1TDP1
SCHEMBL25406875 0.81 NAMPT (0.42) NAMPTGAAL3MBTL1MAPTNPSR1
SCHEMBL25407690 0.76 GAA (0.41) NAMPTGAAL3MBTL1MAPTNPSR1
SCHEMBL25407942 0.74 GAA (0.46) NAMPTGAAL3MBTL1MAPTNPSR1
SCHEMBL25405967 0.74 CA12 (0.35) TDP1CA1CA2LMNABRD4
SCHEMBL24255781 0.69 AR (0.33) GAAL3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL19268475 0.66 LMNA (0.53) GAAMAPTNPSR1ALDH1A1HTT
SCHEMBL26291965 0.65 ALDH1A1 (0.42) GAAL3MBTL1MAPTNPSR1KDM4E
SCHEMBL372131 0.64 PPARG (0.51) NAMPTGAAL3MBTL1MAPTALDH1A1
SCHEMBL21819592 0.63 NAMPT (0.50) NAMPTGAAL3MBTL1MAPTNPSR1

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
CN-116234586-A Pyrazoloazepine immunoconjugates and uses thereof 博尔特生物治疗药物有限公司 2023-06-06 — — CN 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 NAMPT 2270/4885NSD2 2069/4885GAA 4096/4885

“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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