SCHEMBL4928586

SCHEMBL4928586

COc1ccccc1Nc1nc(C)c(C(=O)NCc2ccccc2OC(F)(F)F)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
KDM4E B2RXH2 1/20 0.60
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
RAB9A P51151 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
LMNA P02545 1/20 0.45
CFTR P13569 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX2 P34913 4/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 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
SCHEMBL4923385 0.87 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4925363 0.87 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4923817 0.85 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4926993 0.85 KDM4E (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL14184711 0.85 MAPT (0.62) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL14184688 0.84 KMT2A (0.64) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL14184672 0.84 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4923415 0.83 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4916275 0.82 MAPT (0.61) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4926481 0.81 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1MAPTKDM4E

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-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
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

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 KMT2A 1740/4885MEN1 1829/4885ALDH1A1 1395/4885

“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.