SCHEMBL19120876

SCHEMBL19120876

C(=C1/CN(C2CCCCC2)/C(=N/c2ccccc2)S1)\c1ccc2c(c1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 5/20 0.41
▸ DYRK1B Q9Y463 5/20 0.41
▸ CSNK2A2 P19784 2/20 0.41
▸ CSNK2B P67870 2/20 0.41
▸ CSNK2A1 P68400 2/20 0.41
▸ CSNK2A3 Q8NEV1 2/20 0.41
▸ CA9 Q16790 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ DYRK2 Q92630 4/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 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
SCHEMBL19096619 0.78 FAAH (0.66) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL19096228 0.69 FAAH (0.54) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL19096243 0.69 FAAH (0.56) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL17302145 0.68 MEN1 (0.62) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL24504101 0.65 POLB (0.35) DYRK1ADYRK1BCA9FAAHALDH1A1
SCHEMBL17295576 0.65 FAAH (0.57) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL17295644 0.65 MEN1 (0.54) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL17295646 0.65 MEN1 (0.54) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL17295574 0.65 FAAH (0.57) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL19096226 0.65 CA9 (0.62) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197952-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2017-07-13 — — 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 (1 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-20170197952-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION GRIN2B, IL1B, GRIA4 DYRK1A 2060/4885DYRK1B 1960/4885CSNK2A2 782/4885

“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.

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