SCHEMBL29548532

SCHEMBL29548532

COc1cc([N+](=O)[O-])c(OC)c2c(Br)ccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 5/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 9/20 0.39
ALDH1A1 P00352 8/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39

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
SCHEMBL25291696 0.82 KMT2A (0.49) MEN1KMT2ALMNACASP3SENP8
SCHEMBL9360251 0.82 ALDH1A1 (0.52) MEN1KMT2ALMNACASP3SENP8
SCHEMBL22500864 0.75 MEN1 (0.42) MEN1KMT2ALMNACASP3SENP8
SCHEMBL1382900 0.75 MEN1 (0.43) MEN1KMT2ALMNACASP3SENP8
SCHEMBL13811021 0.74 MEN1 (0.43) MEN1KMT2ALMNACASP3SENP8
SCHEMBL9361649 0.73 MEN1 (0.34) MEN1KMT2ALMNACASP3SENP8
SCHEMBL7185154 0.73 KMT2A (0.54) MEN1KMT2ALMNACASP3SENP8
SCHEMBL24715786 0.72 MAPT (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL9360775 0.72 ALDH1A1 (0.52) MEN1KMT2ALMNACASP3SENP8
SCHEMBL29544510 0.70 EGFR (0.53) MEN1KMT2ALMNACASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431239-A Compounds, pharmaceutical compositions, kits and uses thereof 密执安大学评议会 2025-02-14 CN disclosed
CN-113710241-B Substituted bicyclic and tetracyclic quinones and related methods of use 密执安大学评议会 2024-11-15 CN disclosed
EP-4427812-A2 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND RELATED METHODS OF USE The Regents of the University of Michigan (US) 2024-09-11 EP disclosed
US-20220162167-A1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND USE THEREOF AS ANTI-CANCER AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-05-26 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-20220162167-A1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND USE THEREOF AS ANTI-CANCER AGENTS MCL1, NQO1, GLS MEN1 912/4885KMT2A 1537/4885LMNA 3726/4885

“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.