SCHEMBL22221833

SCHEMBL22221833

CC(C)c1ccnc(CC(C)c2ncccc2C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ PANK3 Q9H999 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32

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
SCHEMBL20758796 0.86 ALDH1A1 (0.35) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25070622 0.85 HPGD (0.43) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20755826 0.75 HPGD (0.38) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2627822 0.75 HPGD (0.53) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10120091 0.74 HPGD (0.56) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20666526 0.72 ALDH1A1 (0.40) HPGDALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL21161714 0.71 ALPL (0.39) ALDH1A1SMN1; SMN2L3MBTL1CYP2D6KDM4E
SCHEMBL12120617 0.70 RXRA (0.35) ALDH1A1SMN1; SMN2NPC1POLBCYP1A2
SCHEMBL11914069 0.70 MEN1 (0.35) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20411878 0.69 UHRF1 (0.37) ALDH1A1SMN1; SMN2POLBKDM4ERXRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 — — US disclosed
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2021-06-15 — — US disclosed
US-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2020-07-16 — — 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 (3 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-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 HPGD 1118/4885ALDH1A1 1019/4885SMN1; SMN2 1829/4885
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 HPGD 1109/4885ALDH1A1 1024/4885SMN1; SMN2 1840/4885
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 HPGD 1166/4885ALDH1A1 1093/4885SMN1; SMN2 1783/4885

“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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