SCHEMBL13799549

SCHEMBL13799549

C[C@@](O)(F)c1nnc(NCc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)o1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 9/20 0.81
▸ KCNH2 Q12809 2/20 0.40
▸ GRM2 Q14416 2/20 0.40
▸ HPGD P15428 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ NOD2 Q9HC29 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
SCHEMBL4076133 0.93 ALOX5 (0.81) ALOX5KCNH2GRM2HPGDALDH1A1
SCHEMBL4087806 0.93 ALOX5 (0.81) ALOX5KCNH2GRM2HPGDALDH1A1
SCHEMBL4089636 0.91 ALOX5 (0.79) ALOX5KCNH2GRM2HPGDALDH1A1
SCHEMBL4078770 0.91 ALOX5 (0.81) ALOX5KCNH2GRM2HPGDALDH1A1
SCHEMBL15275058 0.91 ALOX5 (0.81) ALOX5KCNH2GRM2HPGDALDH1A1
SCHEMBL4075827 0.91 ALOX5 (0.81) ALOX5KCNH2GRM2HPGDALDH1A1
SCHEMBL4080470 0.90 ALOX5 (0.82) ALOX5KCNH2GRM2HPGDALDH1A1
Setileuton SCHEMBL29371714 0.89 ALOX5 (1.00) ALOX5KCNH2GRM2HPGDALDH1A1
Setileuton SCHEMBL13691961 0.89 ALOX5 (1.00) ALOX5KCNH2GRM2HPGDALDH1A1
Setileuton SCHEMBL1528741 0.89 ALOX5 (1.00) ALOX5KCNH2GRM2HPGDALDH1A1

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-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 — — US disclosed
US-20090030048-A1 Novel pharmaceutical compounds BLOUIN MARC 2009-01-29 — — US disclosed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 — — 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-20090030048-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885KCNH2 1551/4885GRM2 4272/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885KCNH2 1551/4885GRM2 4272/4885

“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.

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