SCHEMBL22737346

SCHEMBL22737346

COc1cc(Cl)cc(/C=N/Nc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCOCC3)n2)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 2/20 0.59
▸ TDP1 Q9NUW8 3/20 0.57
▸ MAPT P10636 12/20 0.50
▸ KMT2A Q03164 6/20 0.49
▸ LMNA P02545 5/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ CCR6 P51684 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48

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
SCHEMBL22737561 0.89 GBA1 (0.49) DDX3XTDP1MAPTKMT2ALMNA
SCHEMBL14527861 0.84 DDX3X (0.60) DDX3XTDP1MAPTKMT2ALMNA
SCHEMBL22737390 0.84 GBA1 (0.47) TDP1MAPTKMT2ALMNAMEN1
SCHEMBL11913671 0.83 DDX3X (0.82) DDX3XTDP1MAPTKMT2ALMNA
SCHEMBL12685994 0.75 MAPT (0.71) MAPTKMT2ALMNAMEN1KDM4E
SCHEMBL8238479 0.73 MAPT (0.61) DDX3XMAPTKMT2ALMNAMEN1
SCHEMBL15890518 0.73 MTOR (0.65) TDP1MAPTKMT2ALMNAMEN1
SCHEMBL3327945 0.73 MTOR (0.60) MAPTKMT2ALMNAMEN1KDM4E
SCHEMBL3327950 0.73 MTOR (0.60) MAPTKMT2ALMNAMEN1KDM4E
SCHEMBL8241042 0.72 TDP1 (0.84) TDP1MAPTKMT2ALMNAMEN1

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 DDX3X 1346/4885TDP1 367/4885MAPT 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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