SCHEMBL2590633

SCHEMBL2590633

COc1ccc(N(S)C(N)=O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
RAD52 P43351 1/20 0.46
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 3/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 2/20 0.41

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
SCHEMBL3604278 0.84 POLB (0.42) CA1CA2GAANPC1MEN1
SCHEMBL6114133 0.83 MAPK1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL11546971 0.81 NPC1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL14662766 0.81 POLB (0.42) CA1CA2ALDH1A1HPGDGAA
SCHEMBL3607811 0.79 EPHX2 (0.43) CA1CA2ALDH1A1LMNAGAA
SCHEMBL6751053 0.78 MAPK1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL4038187 0.78 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6816672 0.78 NPC1 (0.49) ALDH1A1GAANPC1MAPTMEN1
SCHEMBL22939500 0.75 LMNA (0.48) CA12CA1CA2CA7CA9
SCHEMBL5039044 0.75 CYP1A2 (0.47) CA12CA1CA2CA7CA9

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
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
EP-1926719-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-04 EP 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-2007031440-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 WO 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 (2 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 CA12 4829/4885CA1 3632/4885CA2 3960/4885
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 CA12 3763/4885CA1 928/4885CA2 210/4885

“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.