SCHEMBL21114023

SCHEMBL21114023

CN(CCCCCCOc1ccc(-c2nn(C)c3ccc(Br)cc23)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.43
PDK2 Q15119 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KAT6A Q92794 1/20 0.35
KAT5 Q92993 1/20 0.35
IDO1 P14902 3/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
BTK Q06187 1/20 0.33

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
SCHEMBL21122126 0.89 PDK2 (0.46) LSSPDK2KAT6AKAT5MAPT
SCHEMBL21114043 0.86 LSS (0.38) LSSPDK2IDO1
SCHEMBL21114096 0.83 LSS (0.42) LSSPDK2KMT2AMEN1ALDH1A1
SCHEMBL21113957 0.82 PDK2 (0.42) LSSPDK2KMT2AMEN1KAT6A
SCHEMBL21114074 0.81 LSS (0.47) LSSPDK2KMT2AMEN1ALDH1A1
SCHEMBL21114154 0.81 LSS (0.47) LSSPDK2KMT2AMEN1ALDH1A1
SCHEMBL21114024 0.81 LSS (0.41) LSSKMT2AMEN1IDO1ALDH1A1
SCHEMBL21114175 0.80 LSS (0.46) LSSPDK2KMT2AMEN1KAT6A
SCHEMBL21113961 0.78 LSS (0.41) LSSPDK2KMT2AMEN1IDO1
SCHEMBL21114116 0.78 LSS (0.55) LSSKMT2AMEN1ALDH1A1MAPT

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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 LSS 438/4885PDK2 3088/4885KMT2A 4674/4885

“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.