SCHEMBL9964411

SCHEMBL9964411

[O-][s+]1nc(O)cc1-c1ccc(OCc2cccc3c2OCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
GYS1 P13807 3/20 0.36
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
FFAR4 Q5NUL3 1/20 0.31
PARP1 P09874 1/20 0.31
KCNH2 Q12809 2/20 0.31
CCR8 P51685 1/20 0.31
MAOB P27338 1/20 0.30
EED O75530 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL9964404 0.76 IDO1 (0.38) MAOB
SCHEMBL9964408 0.74 PARP10 (0.35) FFAR4MAOB
SCHEMBL9934492 0.73 LMNA (0.51) MAOBSLC6A2
SCHEMBL9935750 0.73 KDM4E (0.31)
SCHEMBL9964403 0.72 SLC22A12 (0.39)
SCHEMBL9964416 0.70 MAOB (0.49) FFAR4MAOB
SCHEMBL13818795 0.70 KDM4C (0.41) KDM4CGYS1HTR2AHTR2CPARP1
SCHEMBL9935318 0.70 FFAR1 (0.40) FFAR4
SCHEMBL9935229 0.69 FFAR1 (0.50) FFAR4SLC6A2
SCHEMBL9935353 0.68 MAOB (0.54) FFAR4MAOB

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 6 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
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP 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 KDM4C 3758/4885GYS1 3229/4885HTR2A 1007/4885

“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.