SCHEMBL9964404

SCHEMBL9964404

[O-][s+]1nc(O)cc1-c1ccc(OCc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
XDH P47989 1/20 0.38
NR4A2 P43354 2/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
OPRD1 P41143 1/20 0.35
ALOX5AP P20292 2/20 0.34
ALOX5 P09917 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL9964413 0.80 DHFR (0.52) NR4A2MAOBMAOAADAMTS4MMP13
SCHEMBL9964408 0.80 PARP10 (0.35) MAOBKMT2A
SCHEMBL9934492 0.78 LMNA (0.51) XDHNR4A2MAOBMAOAMEN1
SCHEMBL9964403 0.77 SLC22A12 (0.39) KMT2A
SCHEMBL9964411 0.76 KDM4C (0.40) MAOB
SCHEMBL9935318 0.75 FFAR1 (0.40) KMT2AGAAALOX5APALOX5
SCHEMBL9934172 0.74 FFAR1 (0.53)
SCHEMBL9935229 0.74 FFAR1 (0.50)
SCHEMBL9935750 0.73 KDM4E (0.31) MAPT
SCHEMBL9964379 0.73 FFAR1 (0.41)

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 IDO1 3068/4885XDH 2313/4885NR4A2 7/4885

“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.