SCHEMBL19107398

SCHEMBL19107398

COc1cccc(/N=C2\S/C(=C\c3ccc4c(c3)OCCO4)C(=O)N2c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.58
▸ S1PR1 P21453 9/20 0.58
▸ S1PR3 Q99500 9/20 0.58
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CA9 Q16790 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ DYRK3 O43781 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45

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
SCHEMBL19096222 0.91 FAAH (0.67) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17302145 0.89 MEN1 (0.62) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295538 0.84 FAAH (0.57) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295644 0.84 MEN1 (0.54) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295574 0.84 FAAH (0.57) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL19096569 0.84 MEN1 (0.54) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295576 0.84 FAAH (0.57) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295539 0.84 FAAH (0.57) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295646 0.84 MEN1 (0.54) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL16130329 0.84 S1PR3 (0.70) S1PR1S1PR3

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 2 patents. 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
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 FAAH 240/4885S1PR1 1438/4885S1PR3 1377/4885

“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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