SCHEMBL22737355

SCHEMBL22737355

COc1cc(/C=N/Nc2nc(Nc3cc(C)ccc3C)nc(N3CCOCC3)n2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.57
▸ HPGD P15428 3/20 0.57
▸ GAA P10253 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ PAX8 Q06710 1/20 0.57
▸ KMT2A Q03164 4/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ATM Q13315 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL22737771 0.84 KMT2A (0.57) MAPTHPGDGAANPSR1KMT2A
SCHEMBL22737561 0.82 GBA1 (0.49) MAPTGAANPSR1PAX8KMT2A
SCHEMBL13944049 0.78 MAPT (0.60) MAPTHPGDGAANPSR1KMT2A
SCHEMBL15890518 0.77 MTOR (0.65) MAPTHPGDGAANPSR1KMT2A
SCHEMBL8239323 0.77 MAPT (0.51) MAPTGAANPSR1KMT2ASMN1; SMN2
SCHEMBL13943387 0.76 MAPT (0.60) MAPTHPGDGAANPSR1KMT2A
SCHEMBL19016813 0.75 MAPT (0.61) MAPTGAAKMT2ASMN1; SMN2LMNA
SCHEMBL12685994 0.74 MAPT (0.71) MAPTGAANPSR1KMT2ASMN1; SMN2
SCHEMBL22737390 0.73 GBA1 (0.47) MAPTGAANPSR1PAX8KMT2A
SCHEMBL3327945 0.73 MTOR (0.60) MAPTHPGDGAANPSR1KMT2A

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 48/4885HPGD 3896/4885GAA 104/4885

“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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