SCHEMBL4928386

SCHEMBL4928386

COc1ccccc1Nc1nc(C)c(C(=O)NCc2cccc(Br)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 4/20 0.60
CHRM4 P08173 1/20 0.49
SCD O00767 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MMP9 P14780 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
AGTR1 P30556 1/20 0.44
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL4923383 0.90 MAPT (0.62) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4916217 0.89 MAPT (0.63) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4923415 0.89 ALDH1A1 (0.71) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14184690 0.89 MAPT (0.63) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4916437 0.88 MAPT (0.62) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4918942 0.88 MAPT (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14214493 0.87 MAPT (0.62) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4923403 0.85 MAPT (0.66) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4926481 0.85 ALDH1A1 (0.66) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4926993 0.85 KDM4E (0.55) MAPTMEN1KMT2AALDH1A1KDM4E

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 MAPT 1729/4885MEN1 1829/4885KMT2A 1740/4885

“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.