SCHEMBL29940773

SCHEMBL29940773

CC(C)(C)OC(=O)N(CCCCBr)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTPN1 P18031 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40
MET P08581 1/20 0.40
THRB P10828 1/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL22436846 0.84 KMT2A (0.51) MEN1KMT2APTPN1NPSR1THRB
SCHEMBL30368678 0.83 EPHX2 (0.39) MEN1KMT2APTPN1
SCHEMBL22023023 0.83 EPHX2 (0.39) MEN1KMT2APTPN1
SCHEMBL25352291 0.79 MEN1 (0.46) MEN1KMT2APTPN1THRBHSD11B1
SCHEMBL7004816 0.78 F13A1 (0.67) MEN1KMT2AMET
SCHEMBL13112929 0.78 NPSR1 (0.42) MEN1KMT2ANPSR1HSD11B1
SCHEMBL13112932 0.76 MMP1 (0.39) NPSR1MMP1MMP2MMP9MMP8
SCHEMBL4381121 0.75 KMT2A (0.50) MEN1KMT2APTPN1NPSR1THRB
SCHEMBL13112931 0.74 NPSR1 (0.43) MEN1KMT2ANPSR1MMP1MMP2
SCHEMBL14472155 0.74 KMT2A (0.50) MEN1KMT2APTPN1NPSR1THRB

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-11478451-B1 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-10-25 US disclosed
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-09-20 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-11447504-B2 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 MEN1 193/4885KMT2A 364/4885PTPN1 1606/4885
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 MEN1 193/4885KMT2A 364/4885PTPN1 1606/4885

“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.