SCHEMBL21114015

SCHEMBL21114015

CNCCCC#Cc1ccccc1-c1ccc(-c2nn(C)c3cc(Br)ccc23)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.35
RXRA P19793 1/20 0.33
LSS P48449 2/20 0.32
SCN5A Q14524 2/20 0.31
ESR1 P03372 1/20 0.31
RORC P51449 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL21113917 0.90 SCN9A (0.35) SCN9ALSSSCN5AESR1RORC
SCHEMBL21122113 0.89 SCN9A (0.34) SCN9ALSSSCN5AESR1RORC
SCHEMBL21114159 0.85 LSS (0.33) SCN9ALSSSCN5ARORCALOX5AP
SCHEMBL21114142 0.82 SCN9A (0.36) SCN9ARXRALSSSCN5AESR1
SCHEMBL21113977 0.81 SCN9A (0.42) SCN9ALSSSCN5AALOX5APFEN1
SCHEMBL21113933 0.80 SCN9A (0.39) SCN9ARXRALSSSCN5AESR1
SCHEMBL21114068 0.75 RXRA (0.35) SCN9ARXRALSSALOX5APFEN1
SCHEMBL21113916 0.74 LSS (0.44) SCN9ARXRALSSESR1RORC
SCHEMBL21114181 0.74 ALOX5AP (0.39) SCN9ARXRALSSSCN5AALOX5AP
SCHEMBL21114187 0.73 LSS (0.47) SCN9ARXRALSSESR1RORC

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
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 SCN9A 973/4885RXRA 687/4885LSS 438/4885

“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.