SCHEMBL22737561

SCHEMBL22737561

COc1cc(Cl)cc(/C=N/Nc2nc(Nc3cc(C)ccc3C)nc(N3CCOCC3)n2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.49
▸ MAPT P10636 15/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 7/20 0.47
▸ LMNA P02545 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ THRB P10828 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ DDX3X O00571 1/20 0.45
▸ HTT P42858 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ RECQL P46063 1/20 0.44

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
SCHEMBL22737390 0.92 GBA1 (0.47) GBA1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL22737346 0.89 DDX3X (0.59) GBA1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL8239323 0.83 MAPT (0.51) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL22737355 0.82 MAPT (0.57) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL22737771 0.77 KMT2A (0.57) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19016813 0.74 MAPT (0.61) GBA1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL12685994 0.73 MAPT (0.71) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL15890518 0.73 MTOR (0.65) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3327945 0.73 MTOR (0.60) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3327950 0.73 MTOR (0.60) MAPTALDH1A1CYP1A2CYP3A4CYP2C9

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 GBA1 125/4885MAPT 48/4885ALDH1A1 2789/4885

“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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