SCHEMBL9964416

SCHEMBL9964416

[O-][s+]1nc(O)cc1-c1ccc(OCc2cccc(Br)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.49
PARP15 Q460N3 3/20 0.49
PARP10 Q53GL7 3/20 0.49
PARP14 Q460N5 1/20 0.49
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MAOA P21397 5/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44
ADAMTS4 O75173 1/20 0.44
MMP13 P45452 1/20 0.44
PPARA Q07869 1/20 0.42
MRGPRX4 Q96LA9 1/20 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
SCHEMBL9934415 0.89 MAOB (0.55) MAOBPARP15PARP10PARP14MAOA
SCHEMBL9935547 0.88 MAOB (0.55) MAOBMAOAMRGPRX4
SCHEMBL9934348 0.87 IDO1 (0.39) MAOBPARP15PARP10PARP14FFAR1
SCHEMBL9934492 0.86 LMNA (0.51) MAOBMAOA
SCHEMBL9964413 0.86 DHFR (0.52) MAOBMAOAADAMTS4MMP13
SCHEMBL9935229 0.84 FFAR1 (0.50) FFAR1FFAR4
SCHEMBL9935353 0.83 MAOB (0.54) MAOBFFAR1FFAR4ADAMTS4MMP13
SCHEMBL9934172 0.82 FFAR1 (0.53) FFAR1FFAR4
SCHEMBL9964408 0.78 PARP10 (0.35) MAOBPARP10FFAR1FFAR4
SCHEMBL9964403 0.78 SLC22A12 (0.39) FFAR1

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
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
WO-2011078371-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE 持田製薬株式会社 (JP) 2011-06-30 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MAOB 4453/4885PARP15 3689/4885PARP10 1690/4885

“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.