SCHEMBL9934140

SCHEMBL9934140

O=C1CCCN1CCCOc1cc[c]c(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PDK2 Q15119 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
ADRA1B P35368 1/20 0.39
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL9934645 0.94 POLB (0.57) POLBPDK2MEN1KMT2AEGFR
SCHEMBL9935569 0.83 POLB (0.49) POLBPDK2SMN1; SMN2MEN1KMT2A
SCHEMBL9935315 0.80 POLB (0.44) POLBPDK2SMN1; SMN2KMT2AADRA1B
SCHEMBL9935247 0.77 POLB (0.56) POLBPDK2MEN1KMT2ANPC1
SCHEMBL9934419 0.74 POLB (0.50) POLBPDK2MEN1KMT2ANPC1
SCHEMBL14795046 0.74 POLB (0.61) POLBPDK2SMN1; SMN2MEN1KMT2A
SCHEMBL31662221 0.73 PDK2 (0.55) POLBPDK2SMN1; SMN2MEN1KMT2A
SCHEMBL9934953 0.73 PDK2 (0.35) PDK2SMN1; SMN2KMT2AHRH3
SCHEMBL2348938 0.73 POLB (0.60) POLBPDK2MEN1KMT2ALMNA
SCHEMBL15075257 0.73 L3MBTL1 (0.61) POLBPDK2SMN1; SMN2MEN1KMT2A

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 POLB 4698/4885PDK2 3025/4885SMN1; SMN2 3671/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 POLB 4532/4885PDK2 2808/4885SMN1; SMN2 4030/4885

“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.