SCHEMBL21114068

SCHEMBL21114068

CNCCCCCc1ccccc1-c1ccc(-c2nn(C)c3ccc(Br)cc23)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
ALOX5AP P20292 10/20 0.33
FEN1 P39748 10/20 0.33
SCN9A Q15858 1/20 0.33
LSS P48449 1/20 0.32
GSK3B P49841 1/20 0.32
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 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
SCHEMBL21114142 0.93 SCN9A (0.36) RXRAALOX5APFEN1SCN9ALSS
SCHEMBL21113968 0.90 ALOX5AP (0.36) ALOX5APFEN1SCN9AMAPTKDM4E
SCHEMBL21114165 0.89 FEN1 (0.34) ALOX5APFEN1SCN9ALSSMAPT
SCHEMBL21113915 0.87 SCN9A (0.35) RXRAALOX5APFEN1SCN9ALSS
SCHEMBL21114181 0.85 ALOX5AP (0.39) RXRAALOX5APFEN1SCN9ALSS
SCHEMBL21113951 0.82 SCN9A (0.36) ALOX5APFEN1SCN9ALSS
SCHEMBL21113933 0.80 SCN9A (0.39) RXRAALOX5APFEN1SCN9ALSS
SCHEMBL21114053 0.80 ALOX5AP (0.35) ALOX5APFEN1LSS
SCHEMBL21113961 0.79 LSS (0.41) RXRALSSMAPTKDM4EALDH1A1
SCHEMBL21163150 0.78 RORC (0.38) ALOX5APFEN1SCN9AMAPTHPGD

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 RXRA 687/4885ALOX5AP 1319/4885FEN1 1905/4885

“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.