SCHEMBL13302415

SCHEMBL13302415

O=C(O)c1cccc2c(-c3c(O)c(O)cc4ccccc34)c[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.44
▸ NR4A1 P22736 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ NR4A3 Q92570 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ ACMSD Q8TDX5 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ WDR5 P61964 1/20 0.41
▸ CDC25B P30305 2/20 0.41

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
SCHEMBL13302160 0.81 HTT (0.44) SOS1NR4A1NR4A2NR4A3CSNK2A2
SCHEMBL13302365 0.78 PTPN1 (0.50) SMN1; SMN2GRIN2DGRIN2AGRIN2CKDM4E
SCHEMBL13302379 0.76 MAPT (0.51) NR4A2HTTSMN1; SMN2CDK2KDM4E
SCHEMBL5429949 0.74 PBRM1 (0.51) NR4A2HTTSMN1; SMN2CDK2KDM4E
SCHEMBL13302188 0.73 KDM5A (0.49) NR4A1NR4A2NR4A3CSNK2A2CSNK2B
SCHEMBL13302186 0.73 CA12 (0.46) SOS1NR4A1NR4A2NR4A3CSNK2A2
SCHEMBL11871562 0.72 CSNK2A2 (0.41) SOS1NR4A1NR4A2NR4A3CSNK2A2
SCHEMBL9254751 0.72 HNF4A (0.58) SOS1NR4A1NR4A2NR4A3HTT
SCHEMBL10945420 0.72 POLB (0.51) SOS1POLBGPR35GRIN2DGRIN2A
SCHEMBL13302381 0.72 MAPT (0.44) HTTSMN1; SMN2POLBMAPTTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 — — US disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 — — US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 — — US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 — — 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP SOS1 3605/4885NR4A1 3956/4885NR4A2 3227/4885

“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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