SCHEMBL8312462

SCHEMBL8312462

CNc1ccc(NC(=O)N2CCOCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.73
SMN1; SMN2 Q16637 5/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
RAB9A P51151 4/20 0.70
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
NPC1 O15118 3/20 0.70
TP53 P04637 1/20 0.70
ESR2 Q92731 1/20 0.70
BLM P54132 1/20 0.70
MAPT P10636 1/20 0.68
HPGD P15428 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
LMNA P02545 1/20 0.63
MLYCD O95822 1/20 0.62
ALDH1A1 P00352 3/20 0.62
TSHR P16473 1/20 0.59
MITF O75030 1/20 0.58
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL5852053 0.87 GAA (0.73) GAASMN1; SMN2CYP2C9CYP2C19RAB9A
SCHEMBL12793488 0.85 GAA (0.71) GAASMN1; SMN2CYP2C9CYP2C19RAB9A
SCHEMBL25681592 0.85 GAA (1.00) GAASMN1; SMN2CYP2C9CYP2C19RAB9A
SCHEMBL10594359 0.83 GAA (0.73) GAASMN1; SMN2CYP2C9CYP2C19RAB9A
SCHEMBL8769380 0.83 GAA (0.73) GAASMN1; SMN2CYP2C9CYP2C19RAB9A
SCHEMBL5852049 0.83 GAA (0.73) GAASMN1; SMN2CYP2C9CYP2C19RAB9A
SCHEMBL20236734 0.83 SMN1; SMN2 (1.00) GAASMN1; SMN2CYP2C9CYP2C19RAB9A
SCHEMBL5219633 0.83 GAA (0.73) GAASMN1; SMN2CYP2C9CYP2C19RAB9A
SCHEMBL2475796 0.83 GAA (0.73) GAASMN1; SMN2CYP2C9CYP2C19RAB9A
SCHEMBL1848179 0.83 CYP2C9 (1.00) GAASMN1; SMN2CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 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 (3 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-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A GAA 477/4885SMN1; SMN2 3054/4885CYP2C9 55/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A GAA 477/4885SMN1; SMN2 3054/4885CYP2C9 55/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A GAA 477/4885SMN1; SMN2 3054/4885CYP2C9 55/4885

“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.