SCHEMBL24993891

SCHEMBL24993891

NC(=O)Cn1c(=O)[nH]c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.52
▸ SIRT1 Q96EB6 1/20 0.52
▸ MAPT P10636 2/20 0.45
▸ PLA2G1B P04054 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ GRIA1 P42261 1/20 0.43
▸ GRIA2 P42262 1/20 0.43
▸ GRIA3 P42263 1/20 0.43
▸ GRIA4 P48058 1/20 0.43
▸ PLA2G2A P14555 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ PARG Q86W56 1/20 0.41

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
SCHEMBL30349795 0.81 CYP1A2 (0.60) SIRT2SIRT1MAPTCA12CA9
SCHEMBL24994421 0.79 CCR4 (0.41) MAPTCA12CA9PLA2G2AMEN1
SCHEMBL29203245 0.78 SIRT2 (0.48) SIRT2SIRT1MAPTCA12CA9
SCHEMBL29203248 0.78 SIRT2 (0.48) SIRT2SIRT1MAPTCA12CA9
SCHEMBL30881349 0.78 SIRT2 (0.48) SIRT2SIRT1MAPTCA12CA9
SCHEMBL31520802 0.77 SIRT2 (0.50) SIRT2SIRT1MAPTCA12CA9
SCHEMBL24993096 0.77 GAA (0.43) MEN1KMT2AALDH1A1PGRCYP1A2
SCHEMBL28414336 0.76 SIRT2 (0.49) SIRT2SIRT1MAPTCA12CA9
SCHEMBL9093775 0.75 GRIA1 (0.58) SIRT2SIRT1GRIA1GRIA2GRIA3
SCHEMBL10139260 0.75 SIRT2 (0.51) SIRT2SIRT1MAPTGRIA1GRIA2

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-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 — — 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-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, SUZ12 SIRT2 248/4885SIRT1 66/4885MAPT 3877/4885

“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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