SCHEMBL9935627

SCHEMBL9935627

CNC(=O)CCCOc1nc[c]c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
P2RY12 Q9H244 1/20 0.39
MAPT P10636 3/20 0.34
ATAD2 Q6PL18 1/20 0.34
TSHR P16473 1/20 0.34
PDK2 Q15119 1/20 0.33
FAAH O00519 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALPL P05186 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9935623 0.93 MTNR1A (0.33) PDE3BPDE3AP2RY12PDK2MTNR1A
SCHEMBL9934053 0.85 HTT (0.35) PDE3BPDE3AP2RY12TSHRHTT
SCHEMBL9933895 0.84 PDE3B (0.41) PDE3BPDE3AP2RY12MAPTATAD2
SCHEMBL9933474 0.80 PDE3B (0.38) PDE3BPDE3AP2RY12PDK2FAAH
SCHEMBL9934189 0.77
SCHEMBL9935451 0.75 SMN1; SMN2 (0.51) MAPTTSHRMTNR1AMTNR1BALDH1A1
SCHEMBL9935436 0.75 HSD17B10 (0.36) PDE3BPDE3AP2RY12PDK2GAA
SCHEMBL9934288 0.74 MTNR1A (0.33) PDE3BPDE3AP2RY12PDK2MTNR1A
SCHEMBL9935460 0.72 MKNK1 (0.31)
SCHEMBL9935537 0.71 CYP4F2 (0.30)

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 PDE3B 2073/4885PDE3A 2299/4885P2RY12 371/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 PDE3B 2033/4885PDE3A 2602/4885P2RY12 237/4885

“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.