SCHEMBL13035932

SCHEMBL13035932

[C-]#[N+]c1ccccc1S(=O)(=O)N1CCC2(CC1)NCCO2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12656056 0.82 CCR1 (0.41) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL12655861 0.80 PKM (0.50) POLBALDH1A1L3MBTL1TSHRATM
SCHEMBL12625892 0.79 POLB (0.62) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL12624258 0.78 SLC6A2 (0.42) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL24323773 0.76 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1L3MBTL1RAB9A
SCHEMBL12624092 0.75 HTR6 (0.45) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL12626021 0.75 POLB (0.58) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL12624068 0.74 L3MBTL1 (0.63) KMT2AMEN1MAPK1ALDH1A1L3MBTL1
SCHEMBL12625917 0.74 PKM (0.51) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL12655901 0.74 PKM (0.48) POLBKMT2AMEN1MAPK1ALDH1A1

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-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A BURNS BARBIER LINDSAY 2010-11-04 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-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A FLNA, OPRL1, FLNB POLB 3806/4885KMT2A 3518/4885MEN1 2831/4885

“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.