SCHEMBL23925436

SCHEMBL23925436

COC(=O)c1cc(Br)cc([N+](=O)[O-])c1Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
HSP90AA1 P07900 1/20 0.52
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 5/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 1/20 0.44
HCAR3 P49019 1/20 0.43
CXCR2 P25025 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41
CASP7 P55210 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
SCHEMBL30198468 1.00 MEN1 (0.52) MEN1KMT2AHSP90AA1ALDH1A1GAA
SCHEMBL16110049 0.81 PDGFRB (0.43) MEN1KMT2AMAPTSMN1; SMN2HCAR3
SCHEMBL5789975 0.80 MEN1 (0.46) MEN1KMT2AHSP90AA1ALDH1A1GAA
SCHEMBL1040683 0.80 MEN1 (0.43) MEN1KMT2AHSP90AA1ALDH1A1GAA
SCHEMBL30746848 0.80 MEN1 (0.43) MEN1KMT2AHSP90AA1ALDH1A1GAA
SCHEMBL2875869 0.79 SLC6A3 (0.38) MEN1KMT2AHSP90AA1ALDH1A1GAA
SCHEMBL30258140 0.78 KMT2A (0.42) MEN1KMT2AHSP90AA1ALDH1A1GAA
SCHEMBL25302825 0.78 KMT2A (0.42) MEN1KMT2AHSP90AA1ALDH1A1GAA
SCHEMBL14249660 0.78 PDGFRB (0.43) MEN1KMT2AHSP90AA1ALDH1A1GAA
SCHEMBL5740305 0.77 MEN1 (0.41) MEN1KMT2AHSP90AA1ALDH1A1GAA

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
US-20230227411-A1 Benzimidazole Derivatives HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US disclosed
EP-4136078-A1 BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-02-22 EP disclosed
CN-115443268-A Benzimidazole derivatives 豪夫迈·罗氏有限公司 2022-12-06 CN disclosed
WO-2021209485-A1 BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-10-21 WO 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-20230227411-A1 Benzimidazole Derivatives CCNI, CCNB3, CYP3A43 MEN1 1239/4885KMT2A 1768/4885HSP90AA1 2519/4885

“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.