SCHEMBL15063758

SCHEMBL15063758

N#CC(=C(N)c1ccc([N+](=O)[O-])cc1)N(S)C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
CES1 P23141 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
MMP14 P50281 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL4472665 0.75 TSHR (0.56) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4487187 0.70 TDP1 (0.51) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4487195 0.70 TDP1 (0.51) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL28811226 0.70 TSHR (0.54) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4487191 0.70 TDP1 (0.51) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL15063756 0.69 TSHR (0.50) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL15063759 0.69 TSHR (0.45) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL18513526 0.69 TSHR (0.45) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL28811233 0.66 TSHR (0.49) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7918197 0.66 CES1 (0.61) TSHRMAPTKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184525-B1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2020-10-28 EP disclosed
EP-3184525-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CABOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2017-06-28 EP disclosed
EP-2797916-B1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2017-02-15 EP disclosed
US-8969583-B2 3-phenyl-5-ureidoisothiazole-4-carboximide and 3-amino-5-phenylisothiazole derivatives as kinase inhibitors ALLERGAN, INC. (US) 2015-03-03 US disclosed
EP-2797916-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2014-11-05 EP disclosed
US-20130172353-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2013-07-04 US disclosed
WO-2013101954-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2013-07-04 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-20130172353-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS REN, JAK2, FGFR1 TSHR 618/4885MAPT 2157/4885KDM4E 393/4885

“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.