SCHEMBL4714044

SCHEMBL4714044

Cc1cc(Br)ccc1/C=C/C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
EIF2AK2 P19525 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
MIF P14174 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NFKB1 P19838 1/20 0.42
CA4 P22748 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGB5 P18084 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL4714050 1.00 ESR1 (0.50) ESR1EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL584566 0.81 CYP1A1 (0.55) ESR1MIFCA1CA2NFKB1
SCHEMBL584565 0.81 CYP1A1 (0.55) ESR1MIFCA1CA2NFKB1
SCHEMBL5448079 0.81 EIF2AK2 (0.55) EIF2AK2CSNK2A2CSNK2BCSNK2A1MIF
SCHEMBL30278658 0.81 CYP1A1 (0.55) ESR1MIFCA1CA2NFKB1
SCHEMBL547439 0.80 MIF (0.64) ESR1MIFCA1CA2NFKB1
SCHEMBL547437 0.80 MIF (0.64) ESR1MIFCA1CA2NFKB1
SCHEMBL5906775 0.79 EIF2AK2 (0.49) ESR1EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL28603642 0.79 ESR1 (0.57) ESR1CA1CA2SMN1; SMN2CYP3A4
SCHEMBL28599150 0.79 ESR1 (0.57) ESR1CA1CA2SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565464-B1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-07-23 EP disclosed
US-7342024-B2 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROST CANADA LTD. (CA) 2008-03-11 US disclosed
US-7238706-B2 4-oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2007-07-03 US disclosed
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-03-16 US disclosed
EP-1565464-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-08-24 EP disclosed
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2005-05-19 US disclosed
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO 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-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 ESR1 3976/4885EIF2AK2 3277/4885CSNK2A2 1857/4885
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 ESR1 4421/4885EIF2AK2 3616/4885CSNK2A2 2026/4885

“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.