SCHEMBL21123738

SCHEMBL21123738

CCCNC(=O)c1ccc(NN)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
KMT2A Q03164 1/20 0.61
NAMPT P43490 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 4/20 0.48
NFKB1 P19838 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CA2 P00918 1/20 0.48
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
ACHE P22303 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL13918749 0.87 KDM4E (0.70) KDM4EKMT2ANAMPTL3MBTL1CHRNA10
SCHEMBL6983630 0.84 KDM4E (0.58) KDM4EKMT2ANAMPTL3MBTL1CHRNA10
SCHEMBL12266946 0.84 KMT2A (0.58) KDM4EKMT2ANAMPTL3MBTL1SMN1; SMN2
SCHEMBL13092061 0.84 MAOB (0.66) KDM4EKMT2ANAMPTALDH1A1NFKB1
SCHEMBL6975868 0.84 HDAC3 (0.60) KDM4EKMT2ANAMPTL3MBTL1CHRNA10
SCHEMBL23663764 0.82 ALDH1A1 (0.73) KDM4EKMT2ANAMPTL3MBTL1SMN1; SMN2
SCHEMBL10294734 0.82 KDM4E (0.57) KDM4EKMT2ANAMPTL3MBTL1CHRNA10
SCHEMBL1290599 0.81 LMNA (0.68) KDM4EKMT2ANAMPTL3MBTL1ALDH1A1
SCHEMBL2977016 0.81 KDM4E (0.65) KDM4EKMT2ANAMPTL3MBTL1CHRNA10
SCHEMBL14350257 0.81 KDM4E (0.64) KDM4EKMT2ANAMPTL3MBTL1CHRNA10

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-11226337-B2 Chemoproteomic profiling of protein electrophilic and oxidative post-translational modifications Zenagem, LLC (US) 2022-01-18 US disclosed
US-20190204336-A1 CHEMOPROTEOMIC PROFILING OF PROTEIN ELECTROPHILIC AND OXIDATIVE POST-TRANSLATIONAL MODIFICATIONS Zenagem, LLC 2019-07-04 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-20190204336-A1 CHEMOPROTEOMIC PROFILING OF PROTEIN ELECTROPHILIC AND OXIDATIVE POST-TRANSLATIONAL MODIFICATIONS PTMS, CHAMP1, STUB1 KDM4E 3113/4885KMT2A 1764/4885NAMPT 2826/4885
US-11226337-B2 Chemoproteomic profiling of protein electrophilic and oxidative post-translational modifications PTMS, CHAMP1, STUB1 KDM4E 3113/4885KMT2A 1764/4885NAMPT 2826/4885

“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.