SCHEMBL5513353

SCHEMBL5513353

COc1ccccc1OCc1ccc2c(N3CCCC3)cc(C)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NTSR1 P30989 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.43
MAPK1 P28482 3/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 1/20 0.40

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
Oxalic Acid SCHEMBL5521152 0.94 NCF1 (0.51) NCF1SMN1; SMN2MAPTKDM4EL3MBTL1
SCHEMBL5514139 0.90 NCF1 (0.55) NCF1SMN1; SMN2MAPTL3MBTL1TDP1
SCHEMBL5516117 0.88 NCF1 (0.53) NCF1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL5517334 0.85 NCF1 (0.50) NCF1L3MBTL1USP2ADRB2ADRB1
SCHEMBL5513306 0.85 NCF1 (0.61) NCF1SMN1; SMN2MAPTKDM4EL3MBTL1
SCHEMBL5033396 0.85 NCF1 (0.46) NCF1SMN1; SMN2MAPTKDM4EL3MBTL1
Oxalic Acid SCHEMBL5521282 0.85 NCF1 (0.52) NCF1MAPTKDM4EUSP2ADRB2
SCHEMBL7044443 0.85 NCF1 (0.52) NCF1L3MBTL1TDP1ADRB2ADRB1
SCHEMBL5521248 0.84 NCF1 (0.50) NCF1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL5514600 0.84 NCF1 (0.50) NCF1SMN1; SMN2MAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166589-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity KLUG MICHAEL G 2006-07-06 US disclosed
US-7064134-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-20 US disclosed
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity KLUG MICHAEL G 2006-03-23 US disclosed
US-7012073-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US disclosed
US-6787558-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS, FOR TREATING ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS AND OBESITY HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 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 (4 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-20030158179-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885SMN1; SMN2 3155/4885MAPT 4336/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1911/4885SMN1; SMN2 3309/4885MAPT 4644/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885SMN1; SMN2 3155/4885MAPT 4336/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1865/4885SMN1; SMN2 3744/4885MAPT 3290/4885

“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.