SCHEMBL27136306

SCHEMBL27136306

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C(=O)CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.48
GSK3B P49841 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
HTR2A P28223 1/20 0.46
HTR6 P50406 1/20 0.46
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
PARP1 P09874 1/20 0.44
SAE1 Q9UBE0 1/20 0.43

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
SCHEMBL28362604 0.83 POLB (0.59) ALDH1A1POLBMEN1PKMNPY1R
SCHEMBL5327852 0.83 ALDH1A1 (0.68) ALDH1A1POLBMEN1PKMNPY1R
SCHEMBL6634172 0.80 MAPT (0.56) ALDH1A1POLBMEN1PKMNPY1R
SCHEMBL28524078 0.79 MEN1 (0.58) ALDH1A1POLBMEN1PKMNPY1R
SCHEMBL26630415 0.79 MAPT (0.56) ALDH1A1POLBMEN1PKMNPY1R
SCHEMBL6184844 0.78 ALDH1A1 (0.53) ALDH1A1POLBMEN1PKMNPY1R
SCHEMBL8589692 0.78 ALDH1A1 (0.53) ALDH1A1POLBMEN1PKMNPY1R
SCHEMBL10915060 0.77 ALDH1A1 (0.63) ALDH1A1POLBMEN1PKMNPY1R
SCHEMBL6635342 0.77 KMT2A (0.52) ALDH1A1POLBMEN1PKMNPY1R
SCHEMBL7354442 0.77 ESR1 (0.53) ALDH1A1POLBMEN1PKMNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208998-A1 COMPOUNDS FOR USE IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS UNIVERSITAT DE BARCELONA (ES) 2024-06-27 US disclosed
EP-4326262-A1 COMPOUNDS FOR USE IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Fundació Privada Institut d'Investigació Oncològica de Vall Hebron (ES) 2024-02-28 EP disclosed
CN-117320715-A Compounds for the treatment of hyperproliferative diseases 瓦尔希伯伦私人肿瘤研究基金会 2023-12-29 CN disclosed
WO-2022223704-A1 COMPOUNDS FOR USE IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS FUNDACIÓ PRIVADA INSTITUT D'INVESTIGACIÓ ONCOLÒGICA DE VALL HEBRON (ES) 2022-10-27 WO disclosed
EP-4079304-A1 COMPOUNDS FOR USE IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Fundació Privada Institut d'Investigació Oncològica de Vall-Hebron (ES) 2022-10-26 EP 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-20240208998-A1 COMPOUNDS FOR USE IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS VHL, PCNA, HRAS ALDH1A1 1062/4885POLB 399/4885MEN1 689/4885

“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.