SCHEMBL2585183

SCHEMBL2585183

COc1cc(OC)c(N(S)C(N)=O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
SHMT2 P34897 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4923833 0.79 HTT (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5038744 0.76 MAPT (0.40) GAAKMT2AMEN1NPC1ALDH1A1
SCHEMBL6119132 0.75 NNMT (0.42) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6751053 0.75 MAPK1 (0.37) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL2590633 0.74 CA12 (0.48) GAAKMT2AMEN1NPC1ALDH1A1
SCHEMBL6114258 0.74 HPGD (0.51) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6811061 0.74 KMT2A (0.43) GAAKMT2AMEN1NPC1ALDH1A1
SCHEMBL6814951 0.73 ALDH1A1 (0.46) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL6114133 0.73 MAPK1 (0.51) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL14053273 0.73 CYP1A2 (0.42) KMT2AMEN1MAPTKDM4EHTT

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 5 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
WO-2007031440-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 GAA 3869/4885KMT2A 1603/4885MEN1 3692/4885

“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.