SCHEMBL4923629

SCHEMBL4923629

Cc1ccccc1Nc1nc(C)c(C(=O)O)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 5/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.55
HPGD P15428 4/20 0.55
POLB P06746 1/20 0.55
TP53 P04637 1/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
CHRNA7 P36544 2/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51

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
SCHEMBL27957021 0.86 MAPT (0.54) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL4914698 0.85 KMT2A (0.53) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL4924626 0.83 MAPT (0.76) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL4765972 0.83 NPC1 (0.76) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL27706912 0.82 SCD (0.66) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL347317 0.81 SMN1; SMN2 (0.52) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL347316 0.81 SMN1; SMN2 (0.52) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL4914715 0.79 ALDH1A1 (0.48) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL4918936 0.78 MAPT (0.60) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL5607983 0.77 CHRNA7 (0.60) MAPTALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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 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
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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
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
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 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 1729/4885ALDH1A1 1395/4885KDM4E 1589/4885

“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.