SCHEMBL17268342

SCHEMBL17268342

CCCCN(C(=O)c1c2ccccc2[n+](CCCS(=O)(=O)O)c2ccccc12)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
CNR2 P34972 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
AGTR1 P30556 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL9348982 0.95 KEAP1 (0.41) KEAP1NFE2L2CNR2LMNAPOLB
SCHEMBL19627075 0.92 ALDH1A1 (0.42) MEN1KMT2AATMKEAP1NFE2L2
SCHEMBL6363184 0.90 KEAP1 (0.38) MEN1KMT2AKEAP1NFE2L2LMNA
SCHEMBL2331007 0.90 KEAP1 (0.43) MEN1KMT2AKEAP1NFE2L2CNR2
SCHEMBL9350381 0.89 KEAP1 (0.43) MEN1KMT2AKEAP1NFE2L2LMNA
SCHEMBL13223614 0.89 KEAP1 (0.41) KMT2AKEAP1NFE2L2TDP1LMNA
SCHEMBL14400926 0.88 LMNA (0.40) MEN1KMT2AKEAP1NFE2L2LMNA
SCHEMBL18114368 0.84 KEAP1 (0.44) MEN1KMT2AKEAP1NFE2L2CNR2
SCHEMBL18118867 0.84 LMNA (0.34) MEN1KMT2AKEAP1NFE2L2LMNA
SCHEMBL18118852 0.83 RAB9A (0.42) MEN1KMT2AKEAP1NFE2L2TDP1

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-20150330986-A1 COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME ABBOTT LAB (US) 2015-11-19 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-20150330986-A1 COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME APOB, MPO, LPO MEN1 3484/4885KMT2A 4540/4885ATM 3084/4885

“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.