SCHEMBL23915488

SCHEMBL23915488

CC(C)(C)OC(=O)Cn1nc(CC(=O)N2CCOCC2)c(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
DTYMK P23919 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
S1PR2 O95136 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL23915450 0.85 ALDH1A1 (0.50) GAASMN1; SMN2MAPTNPSR1TDP1
SCHEMBL23908941 0.83 KDM4E (0.46) SMN1; SMN2MAPTS1PR2KDM4EALDH1A1
SCHEMBL23909083 0.82 KDM4E (0.51) SMN1; SMN2MAPTS1PR2KDM4EALDH1A1
SCHEMBL23909132 0.79 KDM4E (0.45) SMN1; SMN2MAPTCHRM2CHRM4CHRM1
SCHEMBL23909057 0.76 KDM4E (0.48) GAASMN1; SMN2MAPTDTYMKCHRM2
SCHEMBL28260027 0.74 KDM4E (0.53) GAASMN1; SMN2MAPTDTYMKCHRM2
SCHEMBL13329858 0.72 KDM4E (0.50) SMN1; SMN2NPSR1CHRM2CHRM4CHRM1
SCHEMBL31202544 0.71 KDM4E (0.49) GAASMN1; SMN2MAPTDTYMKCHRM2
SCHEMBL30711161 0.71 SLC16A3 (0.48) SMN1; SMN2S1PR2KDM4EALDH1A1LMNA
SCHEMBL23914718 0.71 ELANE (0.48) GAASMN1; SMN2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 GAA 3652/4885SMN1; SMN2 2920/4885MAPT 4876/4885

“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.