SCHEMBL22609248

SCHEMBL22609248

COC(=O)c1noc(C)c1Nc1ccc(C#Cc2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ HTT P42858 3/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL22609213 0.88 ALDH1A1 (0.38) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL22609335 0.86 HTT (0.45) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL22609316 0.84 DHODH (0.41) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL22609264 0.81 RXFP1 (0.43) MEN1KMT2ALMNAMAPTCYP2C19
SCHEMBL22609245 0.80 MAPT (0.45) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL22609276 0.74 ALDH1A1 (0.53) ALDH1A1HTTKMT2AMAPTATM
SCHEMBL22609283 0.73 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL22609257 0.73 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL22609268 0.71 DHODH (0.43) ALDH1A1HTTLMNAMAPTKDM4E
SCHEMBL23453717 0.68 DHODH (0.41) ALDH1A1CYP2C19CYP2C9HSD17B10

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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 — — US disclosed
EP-3731840-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF Orfan Biotech Inc. (US) 2020-11-04 — — EP 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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS ALDH1A1 149/4885HTT 4735/4885MEN1 3943/4885

“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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