SCHEMBL21114030

SCHEMBL21114030

CNCCCOCCOc1ccc(-c2nn(C)c3cc(Br)ccc23)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.43
PDE2A O00408 2/20 0.35
PDK2 Q15119 1/20 0.34
SCN9A Q15858 1/20 0.34
ESR1 P03372 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
DGAT1 O75907 1/20 0.31
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 1/20 0.31
AOC3 Q16853 2/20 0.31
HASPIN Q8TF76 1/20 0.31

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
SCHEMBL21113916 0.95 LSS (0.44) LSSPDE2APDK2SCN9AESR1
SCHEMBL21113924 0.94 LSS (0.41) LSSPDE2APDK2SCN9AESR1
SCHEMBL21114027 0.92 LSS (0.42) LSSPDE2APDK2SCN9AESR1
SCHEMBL21114187 0.92 LSS (0.47) LSSPDE2APDK2SCN9AESR1
SCHEMBL21113985 0.86 LSS (0.41) LSSPDE2AESR1DRD2HRH3
SCHEMBL21114017 0.85 LSS (0.42) LSSPDE2AESR1DRD2HRH3
SCHEMBL21113961 0.84 LSS (0.41) LSSPDE2APDK2HRH3KDM4E
SCHEMBL21113992 0.82 LSS (0.48) LSSPDE2AESR1HRH3AOC3
SCHEMBL21114064 0.82 LSS (0.45) LSSPDE2AESR1DRD2DRD4
SCHEMBL21113936 0.82 LSS (0.48) LSSPDE2APDK2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 WO disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
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 438/4885PDE2A 106/4885PDK2 3088/4885

“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.