SCHEMBL4137861

SCHEMBL4137861

CCC(O)(CC)c1nnc(NCCc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)o1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 7/20 0.70
▸ LIPG Q9Y5X9 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4080470 0.92 ALOX5 (0.82) ALOX5HPGDNOD1NOD2KDM4E
SCHEMBL15275058 0.84 ALOX5 (0.81) ALOX5HPGDNOD1NOD2KDM4E
SCHEMBL4078770 0.84 ALOX5 (0.81) ALOX5HPGDNOD1NOD2KDM4E
SCHEMBL4078102 0.83 ALOX5 (0.68) ALOX5HPGDNOD1KDM4ESMN1; SMN2
SCHEMBL4083429 0.82 ALOX5 (0.68) ALOX5HPGDKDM4ESMN1; SMN2CA12
Setileuton SCHEMBL13691961 0.82 ALOX5 (1.00) ALOX5HPGDKDM4EALDH1A1LMNA
Setileuton SCHEMBL29371714 0.82 ALOX5 (1.00) ALOX5HPGDKDM4EALDH1A1LMNA
Setileuton SCHEMBL1528740 0.82 ALOX5 (1.00) ALOX5HPGDKDM4EALDH1A1LMNA
Setileuton SCHEMBL1528741 0.82 ALOX5 (1.00) ALOX5HPGDKDM4EALDH1A1LMNA
SCHEMBL4080699 0.82 ALOX5 (0.55) ALOX5LIPGHPGDNOD1NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030048-A1 Novel pharmaceutical compounds BLOUIN MARC 2009-01-29 — — 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-20090030048-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885LIPG 134/4885HPGD 136/4885

“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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