SCHEMBL15063756

SCHEMBL15063756

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES1 P23141 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MAPK1 P28482 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MMP14 P50281 1/20 0.41
CES2 O00748 1/20 0.41
SRD5A2 P31213 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15063759 0.79 TSHR (0.45) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL4472665 0.77 TSHR (0.56) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL28811226 0.75 TSHR (0.54) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL28811233 0.73 TSHR (0.49) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL4487191 0.72 TDP1 (0.51) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL4487187 0.72 TDP1 (0.51) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL4487195 0.72 TDP1 (0.51) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL7918197 0.71 CES1 (0.61) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL15063758 0.69 TSHR (0.44) TSHRLMNAGAAMAPTALDH1A1
Hydrochloric Acid SCHEMBL27509957 0.69 TSHR (0.92) TSHRLMNAGAAALDH1A1SMN1; 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 618/4885LMNA 2313/4885GAA 2745/4885

“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.