SCHEMBL5033238

SCHEMBL5033238

Cc1cc(Cl)c2ccc(OCc3ccccc3)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
CYP3A4 P08684 2/20 0.51
ALOX5 P09917 1/20 0.49
METTL3 Q86U44 3/20 0.48
MAOB P27338 3/20 0.48
MAOA P21397 3/20 0.48
ACHE P22303 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DYRK1A Q13627 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
NOS3 P29474 1/20 0.44

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
SCHEMBL3646897 0.90 MAPT (0.55) MAPTCYP3A4ALOX5MAOBMAOA
SCHEMBL23273961 0.86 CYP3A4 (0.54) CYP3A4ALOX5MAOBMAOAACHE
SCHEMBL29971250 0.86 CYP3A4 (0.54) CYP3A4ALOX5MAOBMAOAACHE
SCHEMBL29971517 0.84 CYP3A4 (0.49) CYP3A4ALOX5MAOBMAOAACHE
SCHEMBL23283416 0.84 CYP3A4 (0.49) CYP3A4ALOX5MAOBMAOAACHE
SCHEMBL2329011 0.84 CYP3A4 (0.49) CYP3A4ALOX5MAOBMAOAACHE
SCHEMBL5042843 0.84 CYP3A4 (0.51) MAPTCYP3A4ALOX5MAOBMAOA
SCHEMBL25552185 0.84 CYP3A4 (0.51) CYP3A4ALOX5METTL3MAOBMAOA
SCHEMBL8604134 0.84 CYP3A4 (0.51) CYP3A4ALOX5MAOBMAOANPC1
SCHEMBL5033273 0.84 MAOB (0.52) MAPTCYP3A4MAOBMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100376557-C Quinoline derivatives as ligands for neuropeptide Y receptors HOFFMANN LA ROCHE (CH) 2008-03-26 CN disclosed
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
CN-1522249-A Quinoline derivatives as ligands for neuropeptide Y receptors 2004-08-18 CN disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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 (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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAPT 3753/4885CYP3A4 3415/4885ALOX5 2089/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAPT 3753/4885CYP3A4 3415/4885ALOX5 2089/4885

“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.