SCHEMBL9935451

SCHEMBL9935451

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
MTNR1A P48039 6/20 0.45
MTNR1B P49286 5/20 0.45
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9934830 0.96 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2ALDH1A1LMNAMTNR1A
SCHEMBL9936236 0.81 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2ALDH1A1LMNAMTNR1A
SCHEMBL9935498 0.79 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2ALDH1A1LMNAMTNR1A
SCHEMBL9935367 0.77 HTT (0.35) L3MBTL1
SCHEMBL9934345 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL9935623 0.77 MTNR1A (0.33) SMN1; SMN2ALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL9934511 0.76 THRB (0.36) ALDH1A1KMT2A
SCHEMBL9935627 0.75 PDE3B (0.39) ALDH1A1MTNR1AMTNR1BKDM4EHPGD
SCHEMBL9934189 0.74
SCHEMBL9935436 0.73 HSD17B10 (0.36) SMN1; SMN2HSD17B10

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.