SCHEMBL7513698

SCHEMBL7513698

CCCN(CCCN(CCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
FABP4 P15090 1/20 0.36
CA1 P00915 1/20 0.36
ESR2 Q92731 1/20 0.35
KCNN4 O15554 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CA2 P00918 1/20 0.34
RAB9A P51151 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
ABCC2 Q92887 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
UGT1A7 Q9HAW7 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
SCHEMBL7523376 0.99 KEAP1 (0.39) KEAP1NFE2L2L3MBTL1CA12CA9
SCHEMBL7525267 0.97 KEAP1 (0.39) KEAP1NFE2L2L3MBTL1CA12CA9
SCHEMBL7513482 0.78 CA12 (0.41) KEAP1NFE2L2CA12CA9FABP4
SCHEMBL7516875 0.74 CA2 (0.38) KEAP1NFE2L2CA12CA9CA1
SCHEMBL7518369 0.73 CA9 (0.40) KEAP1NFE2L2CA12CA9FABP4
SCHEMBL7522692 0.72 CA12 (0.38) KEAP1NFE2L2L3MBTL1CA12CA9
SCHEMBL7515798 0.70 L3MBTL1 (0.40) L3MBTL1FABP4KCNN4SMN1; SMN2MEN1
SCHEMBL14080566 0.70 KMT2A (0.41) KEAP1NFE2L2CA1SMN1; SMN2MEN1
SCHEMBL14080627 0.70 KMT2A (0.41) KEAP1NFE2L2CA1SMN1; SMN2MEN1
SCHEMBL14080613 0.70 KMT2A (0.41) KEAP1NFE2L2CA1SMN1; SMN2MEN1

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-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2002-04-18 US disclosed
US-6235794-B1 ANTICANCER AGENT UNIVERSITY OF FLORIDA 2001-05-22 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-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment SRM, SLC7A1, CATSPER1 KEAP1 4549/4885NFE2L2 4255/4885L3MBTL1 3921/4885

“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.