SCHEMBL9934508

SCHEMBL9934508

CCOCCOc1nc(C)[c]c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.35
HCAR2 Q8TDS4 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 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
SCHEMBL13934325 0.79 NCF1 (0.37) NCF1HCAR2RARARARBRARG
SCHEMBL9934894 0.78 NCF1 (0.35) NCF1RARARARBRARGPDE3B
SCHEMBL9934702 0.75 TAAR1 (0.31)
SCHEMBL9765672 0.73 NCF1 (0.36) NCF1HCAR2RARARARBRARG
SCHEMBL10924764 0.73 NCF1 (0.36) NCF1HCAR2RARARARBRARG
SCHEMBL9934524 0.72 HTR1B (0.34)
SCHEMBL13934335 0.72 NCF1 (0.33) NCF1RARARARBRARG
SCHEMBL8111866 0.71 NCF1 (0.41) NCF1HCAR2RARARARBRARG
SCHEMBL7169857 0.71 NCF1 (0.34) NCF1
SCHEMBL9934380 0.69 HTT (0.37) ALDH1A1

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 NCF1 1381/4885HCAR2 171/4885RARA 320/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 NCF1 1674/4885HCAR2 141/4885RARA 316/4885

“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.