SCHEMBL9933753

SCHEMBL9933753

Cc1[c]c(C)nc(OCCO)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.40
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 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
SCHEMBL9934908 0.88 IKBKB (0.31) SLC29A1KMT2ATHRB
SCHEMBL9934702 0.78 TAAR1 (0.31)
SCHEMBL600149 0.78 SLC29A1 (0.48) SLC29A1KMT2ATHRBPDE10AALDH1A1
SCHEMBL19166260 0.77 SLC29A1 (0.42) SLC29A1KMT2ATHRBPDE10AALDH1A1
SCHEMBL9934511 0.76 THRB (0.36) SLC29A1KMT2ATHRBPDE10AALDH1A1
SCHEMBL9935470 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9933471 0.76 HTT (0.33) HTT
SCHEMBL9934508 0.75 NCF1 (0.35) ALDH1A1
SCHEMBL9934524 0.75 HTR1B (0.34)
SCHEMBL25029270 0.74 KMT2A (0.51) SLC29A1KMT2ATHRBPDE10AALDH1A1

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 SLC29A1 3210/4885KMT2A 3600/4885THRB 195/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 SLC29A1 2915/4885KMT2A 3915/4885THRB 272/4885

“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.