SCHEMBL9936236

SCHEMBL9936236

CC(=O)NCCOc1nc(C)[c]c(C)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 6/20 0.54
LMNA P02545 2/20 0.54
MTNR1A P48039 5/20 0.46
MTNR1B P49286 4/20 0.46
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL9935498 0.94 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2ALDH1A1LMNAMTNR1A
SCHEMBL9935451 0.81 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2ALDH1A1LMNAMTNR1A
SCHEMBL9934830 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2ALDH1A1LMNAMTNR1A
SCHEMBL14562245 0.74 MTNR1A (0.59) SMN1; SMN2CYP1A2ALDH1A1LMNAMTNR1A
SCHEMBL9934288 0.73 MTNR1A (0.33) SMN1; SMN2ALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL9933753 0.72 SLC29A1 (0.40) ALDH1A1HSD17B10KMT2AHTT
SCHEMBL13411722 0.67 MTNR1A (0.70) SMN1; SMN2ALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL171846 0.66 MTNR1A (0.75) SMN1; SMN2ALDH1A1MTNR1AMTNR1BTSHR
SCHEMBL5157716 0.65 MAPK1 (0.55) SMN1; SMN2ALDH1A1MTNR1AMTNR1BTSHR
SCHEMBL29602673 0.64 MTNR1A (0.70) SMN1; SMN2ALDH1A1LMNAMTNR1AMTNR1B

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-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US 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 (2 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 SMN1; SMN2 3671/4885CYP1A2 3016/4885ALDH1A1 2875/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 SMN1; SMN2 4030/4885CYP1A2 2356/4885ALDH1A1 2867/4885

“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.