SCHEMBL21113951

SCHEMBL21113951

Cn1nc(-c2ccc(-c3ccccc3CCCCCO)cc2F)c2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.36
SCN5A Q14524 4/20 0.36
ESR1 P03372 1/20 0.35
LSS P48449 3/20 0.35
RORC P51449 1/20 0.35
FEN1 P39748 8/20 0.34
ALOX5AP P20292 7/20 0.34

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
SCHEMBL21114165 0.93 FEN1 (0.34) SCN9ASCN5ALSSFEN1ALOX5AP
SCHEMBL21163150 0.89 RORC (0.38) SCN9ASCN5AESR1RORCFEN1
SCHEMBL21114142 0.89 SCN9A (0.36) SCN9ASCN5AESR1LSSRORC
SCHEMBL21114053 0.89 ALOX5AP (0.35) ESR1LSSRORCFEN1ALOX5AP
SCHEMBL21114068 0.82 RXRA (0.35) SCN9ALSSFEN1ALOX5AP
SCHEMBL21113917 0.81 SCN9A (0.35) SCN9ASCN5AESR1LSSRORC
SCHEMBL21122112 0.79 RORC (0.38) SCN9ARORCFEN1ALOX5AP
SCHEMBL21113973 0.78 ALOX5AP (0.38) SCN9ARORCFEN1ALOX5AP
SCHEMBL21113968 0.78 ALOX5AP (0.36) SCN9ARORCFEN1ALOX5AP
SCHEMBL21113936 0.78 LSS (0.48) ESR1LSSRORC

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 973/4885SCN5A 721/4885ESR1 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.