SCHEMBL19120164

SCHEMBL19120164

COCc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(c3cccc(COc4ccc(/N=C5\S/C(=C\c6ccc(CO)cc6)C(=O)N5c5ccccc5)cc4)c3)C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ S1PR1 P21453 6/20 0.49
▸ S1PR3 Q99500 6/20 0.49
▸ PTPN1 P18031 6/20 0.49
▸ ACP1 P24666 5/20 0.49
▸ PTPN2 P17706 2/20 0.49
▸ FAAH O00519 2/20 0.48
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ DUSP26 Q9BV47 1/20 0.45
▸ NPSR1 Q6W5P4 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
SCHEMBL17295261 0.83 S1PR1 (0.57) MEN1ALDH1A1KMT2AS1PR1S1PR3
SCHEMBL17295262 0.83 S1PR1 (0.57) MEN1ALDH1A1KMT2AS1PR1S1PR3
SCHEMBL17302130 0.83 S1PR1 (0.57) MEN1ALDH1A1KMT2AS1PR1S1PR3
SCHEMBL29726497 0.81 FAAH (0.63) MEN1ALDH1A1KMT2AS1PR1S1PR3
SCHEMBL17302144 0.81 FAAH (0.63) MEN1ALDH1A1KMT2AS1PR1S1PR3
SCHEMBL22420194 0.81 FAAH (0.64) MEN1ALDH1A1KMT2AS1PR1S1PR3
SCHEMBL17295234 0.80 S1PR1 (0.67) MEN1ALDH1A1KMT2AS1PR1S1PR3
SCHEMBL17295236 0.80 S1PR1 (0.67) MEN1ALDH1A1KMT2AS1PR1S1PR3
SCHEMBL17295627 0.80 FAAH (0.75) MEN1ALDH1A1KMT2AS1PR1S1PR3
SCHEMBL17295629 0.80 FAAH (0.75) MEN1ALDH1A1KMT2AS1PR1S1PR3

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 MEN1 4464/4885ALDH1A1 186/4885KMT2A 1603/4885

“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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