SCHEMBL4056704

SCHEMBL4056704

CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SLC6A9 P48067 11/20 0.53
NPC1 O15118 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
KCNH2 Q12809 2/20 0.49
NAAA Q02083 2/20 0.49
MITF O75030 1/20 0.46
TP53 P04637 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
SCHEMBL1378333 0.88 NPC1 (0.58) RAB9AMAPTSLC6A9NPC1KCNH2
SCHEMBL1380238 0.87 MAPT (0.56) RAB9AMAPTALDH1A1MAPK1SLC6A9
SCHEMBL1376779 0.85 TP53 (0.65) RAB9AMAPTMEN1ALDH1A1MAPK1
SCHEMBL4057516 0.83 SLC2A1 (0.53) RAB9AMAPTSLC6A9KCNH2MITF
SCHEMBL1378682 0.83 SLC6A9 (0.55) RAB9ASLC6A9NPC1KCNH2
SCHEMBL2828643 0.82 SLC6A9 (0.60) SLC6A9KCNH2
SCHEMBL2832146 0.81 SLC6A9 (0.56) SLC6A9KCNH2
SCHEMBL4424875 0.80 SLC6A9 (0.63) SLC6A9KCNH2
SCHEMBL4237863 0.79 SLC6A9 (0.64) SLC6A9KCNH2
SCHEMBL4055390 0.79 SLC6A9 (0.64) SLC6A9KCNH2

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 15 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
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

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 RAB9A 2886/4885MAPT 975/4885MEN1 1682/4885
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HTR5A, NPY5R, GRM5 RAB9A 2935/4885MAPT 1153/4885MEN1 1331/4885

“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.