SCHEMBL21758282

SCHEMBL21758282

CNCC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.53
▸ PLG P00747 2/20 0.49
▸ PLAU P00749 2/20 0.49
▸ PLAT P00750 2/20 0.49
▸ BACE1 P56817 1/20 0.48
▸ RXRA P19793 2/20 0.48
▸ RXRB P28702 2/20 0.48
▸ SLC1A3 P43003 2/20 0.47
▸ SLC1A2 P43004 2/20 0.47
▸ SLC1A1 P43005 2/20 0.47
▸ MAOB P27338 2/20 0.46
▸ SLC6A7 Q99884 1/20 0.46
▸ S1PR5 Q9H228 1/20 0.45
▸ SLC13A5 Q86YT5 1/20 0.45
▸ KDM1A O60341 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ MME P08473 1/20 0.44
▸ ALDH1A1 P00352 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
SCHEMBL13774627 0.81 PTPN1 (0.63) KIF11PLGPLAUPLATBACE1
SCHEMBL23888875 0.81 KIF11 (0.57) KIF11PLGPLAUPLATBACE1
SCHEMBL2984165 0.79 KIF11 (0.58) KIF11PLGPLAUPLATBACE1
SCHEMBL9798788 0.78 PLAU (0.58) KIF11PLGPLAUPLATBACE1
SCHEMBL2344585 0.77 RXRA (0.72) KIF11PLGPLAUPLATRXRA
SCHEMBL29784281 0.77 RXRA (0.72) KIF11PLGPLAUPLATRXRA
SCHEMBL5944009 0.77 HDAC6 (0.62) KIF11PLGPLAUPLATKDM1A
SCHEMBL13774625 0.76 MAPT (0.58) KIF11PLGPLAUPLATRXRA
SCHEMBL17940326 0.74 SCN9A (0.62) KIF11PLGPLAUPLATRXRA
SCHEMBL13774624 0.74 HSD11B1 (0.71) KIF11ALDH1A1

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-11311523-B2 Pyridinone compound and use thereof KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-04-26 — — US disclosed
US-20200061039-A1 PYRIDINONE COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-02-27 — — 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 (2 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-20200061039-A1 PYRIDINONE COMPOUND AND USE THEREOF DOCK5, DOCK2, CIB1 KIF11 1949/4885PLG 3606/4885PLAU 2768/4885
US-11311523-B2 Pyridinone compound and use thereof DOCK5, DOCK2, CIB1 KIF11 1949/4885PLG 3606/4885PLAU 2768/4885

“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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