SCHEMBL4057516

SCHEMBL4057516

CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nc3c([N+](=O)[O-])cccc3s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.53
SLC6A9 P48067 14/20 0.52
KCNH2 Q12809 3/20 0.51
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL1376859 0.89 SLC6A9 (0.55) SLC2A1SLC6A9KCNH2TP53MAPT
SCHEMBL1377181 0.88 MAPT (0.56) SLC6A9KCNH2MITFTP53MAPT
SCHEMBL4068722 0.86 SLC6A9 (0.53) SLC2A1SLC6A9KCNH2TP53MAPT
SCHEMBL4056704 0.83 RAB9A (0.59) SLC6A9KCNH2MITFTP53MAPT
SCHEMBL2832146 0.82 SLC6A9 (0.56) SLC6A9KCNH2
SCHEMBL2829749 0.81 SLC6A9 (0.51) SLC6A9KCNH2
SCHEMBL1378333 0.80 NPC1 (0.58) SLC6A9KCNH2MAPTRAB9A
SCHEMBL1378682 0.80 SLC6A9 (0.55) SLC6A9KCNH2RAB9A
SCHEMBL2828643 0.80 SLC6A9 (0.60) SLC6A9KCNH2
SCHEMBL1380238 0.78 MAPT (0.56) SLC6A9KCNH2MITFTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101072762-B Phenyl-piperazin methanone derivatives HOFFMANN LA ROCHE 2010-06-23 CN claimed
EP-1828154-B1 PHENYL-PIPERAZIN METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-29 EP claimed
CN-101072762-A Phenyl-piperazin methanone derivatives HOFFMANN LA ROCHE (CH) 2007-11-14 CN claimed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US claimed
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 US claimed
CN-101072762-B Phenyl-piperazin methanone derivatives HOFFMANN LA ROCHE 2010-06-23 CN disclosed
EP-1828154-B1 PHENYL-PIPERAZIN METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-29 EP disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
CN-101072762-A Phenyl-piperazin methanone derivatives HOFFMANN LA ROCHE (CH) 2007-11-14 CN disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
EP-1828154-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 US disclosed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 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 (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-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups GRIK5, GRM5, GRIN2C SLC2A1 3352/4885SLC6A9 2292/4885KCNH2 274/4885
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HTR5A, NPY5R, GRM5 SLC2A1 4580/4885SLC6A9 4053/4885KCNH2 228/4885

“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.