SCHEMBL22737369

SCHEMBL22737369

COc1cc(/C=N/Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MAPT P10636 11/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ HTT P42858 4/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ AKR1C3 P42330 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 3/20 0.51
▸ RECQL P46063 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TEX264 Q9Y6I9 1/20 0.50
▸ IDH2 P48735 3/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL8908990 0.83 SMN1; SMN2 (0.58) GAAMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL30568813 0.78 USP2 (0.83) MAPTSMN1; SMN2USP2KMT2AHTT
SCHEMBL13942796 0.78 SMN1; SMN2 (0.49) GAAMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL8909067 0.77 CTSL (0.52) GAAMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3758998 0.77 USP2 (0.87) MAPTSMN1; SMN2USP2KMT2AMEN1
SCHEMBL28449253 0.76 USP2 (0.78) MAPTSMN1; SMN2USP2KMT2AMEN1
SCHEMBL32669200 0.75 GAA (0.59) GAAHPGDMAPTALDH1A1KMT2A
SCHEMBL22737353 0.74 MAPT (0.68) GAAHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL32669325 0.74 GAA (0.65) GAAHPGDMAPTALDH1A1KMT2A
SCHEMBL15890518 0.74 MTOR (0.65) GAAHPGDMAPTALDH1A1KMT2A

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 GAA 104/4885HPGD 3896/4885MAPT 48/4885

“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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