SCHEMBL21114142

SCHEMBL21114142

CNCCCCCc1ccccc1-c1ccc(-c2nn(C)c3cc(Br)ccc23)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.36
RXRA P19793 1/20 0.35
LSS P48449 3/20 0.35
ALOX5AP P20292 6/20 0.33
FEN1 P39748 6/20 0.33
RORC P51449 1/20 0.33
ESR1 P03372 1/20 0.32
SCN5A Q14524 2/20 0.32
MAPT P10636 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
SCHEMBL21114068 0.93 RXRA (0.35) SCN9ARXRALSSALOX5APFEN1
SCHEMBL21113968 0.90 ALOX5AP (0.36) SCN9AALOX5APFEN1RORCMAPT
SCHEMBL21113951 0.89 SCN9A (0.36) SCN9ALSSALOX5APFEN1RORC
SCHEMBL21113933 0.87 SCN9A (0.39) SCN9ARXRALSSALOX5APFEN1
SCHEMBL21114053 0.87 ALOX5AP (0.35) LSSALOX5APFEN1RORCESR1
SCHEMBL21113977 0.85 SCN9A (0.42) SCN9ALSSALOX5APFEN1SCN5A
SCHEMBL21114165 0.82 FEN1 (0.34) SCN9ALSSALOX5APFEN1SCN5A
SCHEMBL21114015 0.82 SCN9A (0.35) SCN9ARXRALSSALOX5APFEN1
SCHEMBL21113915 0.80 SCN9A (0.35) SCN9ARXRALSSALOX5APFEN1
SCHEMBL21163150 0.78 RORC (0.38) SCN9AALOX5APFEN1RORCESR1

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.