SCHEMBL21113992

SCHEMBL21113992

Cn1nc(-c2ccc(OCCCCCCN)cc2F)c2ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.48
PDE2A O00408 2/20 0.38
ESR1 P03372 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
RORC P51449 1/20 0.35
AOC3 Q16853 3/20 0.33
SLC6A4 P31645 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
ALDH2 P05091 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
SCHEMBL21113936 0.91 LSS (0.48) LSSPDE2AESR1RORCSLC6A4
SCHEMBL21114116 0.89 LSS (0.55) LSSPDE2A
SCHEMBL21114187 0.89 LSS (0.47) LSSPDE2AESR1RORC
SCHEMBL21114064 0.87 LSS (0.45) LSSPDE2AESR1RORCSLC6A4
SCHEMBL21114031 0.87 LSS (0.47) LSSPDE2AESR1RORC
SCHEMBL21113971 0.87 LSS (0.45) LSSPDE2AESR1RORCHRH3
SCHEMBL21113916 0.87 LSS (0.44) LSSPDE2AESR1RORCHRH3
SCHEMBL21114027 0.85 LSS (0.42) LSSPDE2AESR1RORC
SCHEMBL21114071 0.85 LSS (0.43) LSSPDE2AESR1SLC6A4HRH3
SCHEMBL21113924 0.83 LSS (0.41) LSSPDE2AESR1RORCHRH3

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
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

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 106/4885ESR1 4783/4885

“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.