SCHEMBL19485936

SCHEMBL19485936

CN(C)c1ccc(C=C2S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 1.00
▸ CA9 Q16790 3/20 0.56
▸ S1PR1 P21453 2/20 0.50
▸ S1PR3 Q99500 2/20 0.50
▸ NOX4 Q9NPH5 2/20 0.49
▸ NOX1 Q9Y5S8 1/20 0.49
▸ CYBB P04839 1/20 0.49
▸ ITGB3 P05106 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PPARA Q07869 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL17309284 1.00 FAAH (1.00) FAAHCA9S1PR1S1PR3NOX4
SCHEMBL19096619 0.79 FAAH (0.66) FAAHCA9S1PR1S1PR3LMNA
SCHEMBL28686336 0.78 FAAH (0.68) FAAHCA9S1PR1S1PR3ITGB3
SCHEMBL19481521 0.77 FAAH (1.00) FAAHCA9S1PR1S1PR3ITGB3
SCHEMBL17309448 0.77 FAAH (1.00) FAAHCA9S1PR1S1PR3ITGB3
SCHEMBL31310436 0.75 FAAH (0.60) FAAHCA9S1PR1S1PR3KMT2A
SCHEMBL27861589 0.75 FAAH (0.70) FAAHCA9S1PR1S1PR3ITGB3
SCHEMBL31310444 0.73 FAAH (0.58) FAAHCA9S1PR1S1PR3AURKA
SCHEMBL31310393 0.73 CA12 (0.67) FAAHCA9S1PR1S1PR3LMNA
SCHEMBL31310312 0.73 FAAH (0.58) FAAHCA9S1PR1S1PR3

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-20170296515-A1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2017-10-19 — — 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-20170296515-A1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION SLC18A2, AANAT, CNR2 FAAH 27/4885CA9 4726/4885S1PR1 848/4885

“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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