SCHEMBL1337591

SCHEMBL1337591

Nc1c(F)cc(-c2ccccc2F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.42
ALOX5AP P20292 5/20 0.42
BACE1 P56817 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS2 P35354 2/20 0.40
MAP4K4 O95819 1/20 0.40
PTGS1 P23219 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MPL P40238 1/20 0.36

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
SCHEMBL1337206 0.92 BACE1 (0.44) FEN1ALOX5APBACE1PTGS2MAP4K4
SCHEMBL1336693 0.89 ALOX5AP (0.49) FEN1ALOX5APBACE1CA1CA2
SCHEMBL1337677 0.86 FEN1 (0.47) FEN1ALOX5APBACE1MAP4K4PTPRC
SCHEMBL3822936 0.81 CA1 (0.43) CA1CA2CA9PTGS2PTGS1
SCHEMBL1336845 0.81 ALOX5AP (0.51) FEN1ALOX5APBACE1PTGS2PTGS1
SCHEMBL28514785 0.80 BACE1 (0.41) FEN1ALOX5APBACE1PTGS2MAP4K4
SCHEMBL13614897 0.80 PTPRC (0.47) FEN1ALOX5APBACE1MAP4K4PTPRC
SCHEMBL2312547 0.78 ALDH1A1 (0.40) PTGS2PTGS1ALDH1A1MAPT
SCHEMBL6249630 0.78 ACMSD (0.46) FEN1ALOX5APBACE1CA9MAP4K4
SCHEMBL28116695 0.75 PTPRC (0.54) FEN1ALOX5APBACE1MAP4K4PTPRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 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 (2 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-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR FEN1 2101/4885ALOX5AP 823/4885BACE1 4104/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR FEN1 2101/4885ALOX5AP 823/4885BACE1 4104/4885

“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.