SCHEMBL609294

SCHEMBL609294

CO[N+](=O)c1cccc(S(=O)(=O)OC2CO2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
KMT2A Q03164 4/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
CA2 P00918 2/20 0.34
CA5A P35218 1/20 0.34
LMNA P02545 1/20 0.33
FKBP1A P62942 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL3835002 0.83 PRMT5 (0.67) PRMT5WDR77KMT2AGAAHTT
SCHEMBL14123126 0.83 PRMT5 (0.67) PRMT5WDR77KMT2AGAAHTT
SCHEMBL19185361 0.73 PRMT5 (0.61) PRMT5WDR77KMT2AGAAHTT
SCHEMBL22054625 0.69 CA1 (0.46) PRMT5WDR77HTTACHEF2
SCHEMBL4432327 0.66 CYP2D6 (0.49) KMT2AGAAACHECA2CA5A
SCHEMBL4433801 0.66 CYP2D6 (0.49) KMT2AGAAACHECA2CA5A
SCHEMBL31410080 0.66 CYP2D6 (0.49) KMT2AGAAACHECA2CA5A
SCHEMBL4432332 0.66 CYP2D6 (0.49) KMT2AGAAACHECA2CA5A
SCHEMBL19469359 0.66 PRMT5 (0.59) PRMT5WDR77KMT2AGAAHTT
SCHEMBL4712336 0.65 PRMT5 (0.60) PRMT5WDR77KMT2AGAAHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410110-B2 9-(piperazinylalkyl) carbazoles as Bax-modulators MERCK SERONO SA (CH) 2013-04-02 US disclosed
US-20120040933-A1 9-(PIPERAZINYLALKYL) CARBAZOLES AS BAX-MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2012-02-16 US disclosed
US-8053436-B1 9-(piperazinylalkyl) carbazoles as bax-modulators MERCK SERONO SA (CH) 2011-11-08 US disclosed
EP-1237887-B1 9-(PIPERAZINYLALKYL)CARBAZOLES AS BAX-MODULATORS SERONO LAB (CH) 2008-06-04 EP disclosed
EP-1237887-A1 9-(PIPERAZINYLALKYL)CARBAZOLES AS BAX-MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-11 EP disclosed
WO-2001029028-A1 9- (PIPERAZINYLALKYL) CARBAZOLES AS BAX-MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-26 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-20120040933-A1 9-(PIPERAZINYLALKYL) CARBAZOLES AS BAX-MODULATORS BCL2, BAX, BAD PRMT5 1130/4885WDR77 3910/4885KMT2A 732/4885

“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.