SCHEMBL4924746

SCHEMBL4924746

Cc1nc(Nc2ccc(Br)cc2)sc1C(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
KDM4E B2RXH2 2/20 0.53
DHODH Q02127 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PPARA Q07869 1/20 0.52
SCD O00767 1/20 0.47
AHR P35869 1/20 0.46
MCL1 Q07820 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5425246 0.90 MAPT (0.47) MAPTKDM4EDHODHNPSR1PPARA
SCHEMBL4929895 0.85 SCD (0.64) MAPTKDM4EDHODHNPSR1SCD
SCHEMBL5405152 0.85 MEN1 (0.48) MAPTKDM4EDHODHNPSR1PPARA
SCHEMBL4923913 0.85 MAPT (0.59) MAPTKDM4EDHODHNPSR1PPARA
SCHEMBL14184655 0.84 MAPT (0.58) MAPTKDM4EDHODHNPSR1PPARA
SCHEMBL4926157 0.84 MAPT (0.55) MAPTKDM4EDHODHNPSR1PPARA
SCHEMBL14184615 0.81 MAPT (0.50) MAPTKDM4EDHODHNPSR1AHR
SCHEMBL14214490 0.81 DHODH (0.56) MAPTKDM4EDHODHNPSR1SCD
SCHEMBL4925312 0.80 MAPT (0.56) MAPTKDM4EDHODHNPSR1MEN1
SCHEMBL4925177 0.80 MAPT (0.58) MAPTKDM4EDHODHNPSR1SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US claimed
CN-101098698-A 5-carboxamido-substituted thiazole derivatives which interact with ion channels, in particular ion channels of the Kv family DEVGEN NV (BE) 2008-01-02 CN claimed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP claimed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 WO claimed
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US disclosed
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US disclosed
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US disclosed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP disclosed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 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-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family KCNA5, KCNA1, KCNJ2 MAPT 1729/4885KDM4E 1589/4885DHODH 2479/4885

“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.