SCHEMBL5953366

SCHEMBL5953366

O=C(O)c1[nH]c(=O)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ TTR P02766 1/20 0.34
▸ MMP1 P03956 2/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP12 P39900 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ EIF4A3 P38919 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ TDP2 O95551 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL14694443 0.76 CA1 (0.41) THRBCA12CA9ALDH1A1LMNA
SCHEMBL28114005 0.74 DPP4 (0.39) CA12CA9ALDH1A1
SCHEMBL25210606 0.70 KDM4E (0.45) ALDH1A1LMNA
SCHEMBL28304328 0.68 JAK2 (0.39) JAK2THRBIDO1TDO2TTR
SCHEMBL31381657 0.65 — —
SCHEMBL31386913 0.65 NOTUM (0.39) JAK2THRBDHODHALDH1A1EIF4A3
SCHEMBL29301446 0.65 IDO1 (0.42) JAK2THRBIDO1TDO2ALDH1A1
SCHEMBL21324850 0.65 CAPN1 (0.37) MMP1MMP2MMP9MMP12LMNA
SCHEMBL25210527 0.65 CA12 (0.42) CA12CA9ALDH1A1LMNAEIF4A3
SCHEMBL31171910 0.64 EIF4A3 (0.43) JAK2THRBALDH1A1LMNAEIF4A3

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-7119107-B2 Pyridone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-10-10 — — US disclosed
US-20050154025-A1 6-[4-(fluoro- or trifluoromethyl)pyridyl-4-(p-fluorophenyl)-5-methylimidazol-2-yl] pyridones; cyclization of 1-phenyl-1-pyridyl-1,2-diaminopropanes with an acid, amidine, or nitrile compound; neuropeptide Y receptor antagonists; cardiovascular and central nervous system disorders, metabolic diseases MSD K.K. (JP) 2005-07-14 — — US disclosed
EP-1486497-A1 NOVEL PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 — — EP 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-20050154025-A1 6-[4-(fluoro- or trifluoromethyl)pyridyl-4-(p-fluorophenyl)-5-methylimidazol-2-yl] pyridones; cyclization of 1-phenyl-1-pyridyl-1,2-diaminopropanes with an acid, amidine, or nitrile compound; neuropeptide Y receptor antagonists; cardiovascular and central nervous system disorders, metabolic diseases NPY1R, NPY4R, NPY2R JAK2 2454/4885THRB 472/4885CA12 4794/4885

“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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