SCHEMBL4918936

SCHEMBL4918936

COc1ccccc1Nc1nc(C)c(C(=O)O)s1.Cc1ccccc1CNS

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 5/20 0.60
KDM4E B2RXH2 3/20 0.60
GAA P10253 3/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.46
HPGD P15428 4/20 0.45
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MMP9 P14780 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
SCHEMBL4924626 0.87 MAPT (0.76) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL4924619 0.86 MAPT (0.60) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL4923385 0.86 ALDH1A1 (0.66) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL4918933 0.81 ALDH1A1 (0.57) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL4923629 0.78 MAPT (0.56) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL4927260 0.77 KMT2A (0.77) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL4923415 0.77 ALDH1A1 (0.71) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL4919978 0.77 MAPT (0.67) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL4916275 0.77 MAPT (0.61) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL14184688 0.77 KMT2A (0.64) MAPTKMT2AALDH1A1MEN1KDM4E

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 4 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

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 1729/4885KMT2A 1740/4885ALDH1A1 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.