SCHEMBL19120145

SCHEMBL19120145

CC(C)c1ccc2[nH]c(CC(C)c3ccc4[nH]cnc4c3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HTR1D P28221 1/20 0.30
▸ KDM5B Q9UGL1 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
SCHEMBL24478695 0.92 EIF4A3 (0.39) SCN10AMAPTTHRB
SCHEMBL5526838 0.80 MAPT (0.42) SCN10AMAPTHTR1D
SCHEMBL19954972 0.78 KDM4E (0.36) LOXL2MAPTTHRB
SCHEMBL19308817 0.75 KDM4E (0.37) SCN10AMAPTKDM5B
SCHEMBL18430215 0.74 SCN10A (0.42) SCN10AMAPT
SCHEMBL26364497 0.74 IDH1 (0.32) IDH1
SCHEMBL21524642 0.73 EIF4A3 (0.42) SCN10AMAPTTHRBHTR1D
SCHEMBL19440430 0.72 NR3C1 (0.37) LOXL2MAPT
SCHEMBL19788242 0.72 METTL3 (0.32) KDM5B
SCHEMBL21240033 0.72 HTT (0.36) MAPT

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 IDH1 1532/4885SCN10A 1867/4885LOXL2 2127/4885

“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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