SCHEMBL22737353

SCHEMBL22737353

COc1cc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCC#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.68
▸ KMT2A Q03164 11/20 0.68
▸ MEN1 O00255 10/20 0.68
▸ ALDH1A1 P00352 5/20 0.68
▸ HTT P42858 4/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.66
▸ LMNA P02545 6/20 0.61
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GAA P10253 6/20 0.52
▸ RECQL P46063 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ TEX264 Q9Y6I9 1/20 0.52
▸ CYP2C9 P11712 1/20 0.50
▸ PIKFYVE Q9Y2I7 1/20 0.50

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
SCHEMBL22737807 0.78 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL22737384 0.75 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL13091227 0.74 MAPT (0.61) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL22737369 0.74 GAA (0.59) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL23345459 0.74 KMT2A (0.72) MAPTKMT2AMEN1HTTKDM4E
SCHEMBL12717683 0.73 MAPT (0.87) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL12717690 0.72 MAPT (1.00) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL1659812 0.72 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL1659816 0.72 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL13091221 0.72 MAPT (0.60) MAPTKMT2AMEN1ALDH1A1HTT

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-20200375996-A1 METHOD OF TREATING NEURODEGENERATIVE DISORDERS BY RESCUING ALPHA-SYNUCLEIN TOXICITY D.E. SHAW RESEARCH, LLC (US) 2020-12-03 — — 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-20200375996-A1 METHOD OF TREATING NEURODEGENERATIVE DISORDERS BY RESCUING ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, NEDD4 MAPT 48/4885KMT2A 2524/4885MEN1 4316/4885

“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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