SCHEMBL5042843

SCHEMBL5042843

Cc1cc(O)c2ccc(OCc3ccccc3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
MAOB P27338 5/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 2/20 0.49
KDR P35968 1/20 0.49
ALOX5 P09917 1/20 0.49
HSP90AA1 P07900 1/20 0.48
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ACHE P22303 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46

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
SCHEMBL3645761 0.90 MAOB (0.51) CYP3A4MAOBMEN1KMT2AALOX5
SCHEMBL15063096 0.84 CYP3A4 (0.49) CYP3A4MAOBMEN1KMT2AMAPT
SCHEMBL25552185 0.84 CYP3A4 (0.51) CYP3A4MAOBMEN1KMT2AALOX5
SCHEMBL5033238 0.84 MAPT (0.54) CYP3A4MAOBMEN1KMT2AMAPT
SCHEMBL5033332 0.84 MAOB (0.52) CYP3A4MAOBMAPTACHERAB9A
SCHEMBL28421218 0.82 CYP3A4 (0.49) CYP3A4MAOBMEN1KMT2AMAPT
SCHEMBL2908224 0.82 MCL1 (0.54) CYP3A4MAOBMEN1KMT2AALOX5
SCHEMBL2907530 0.80 MAOB (0.50) CYP3A4MAOBMEN1KMT2AMAPT
SCHEMBL27604099 0.79 MEN1 (0.47) CYP3A4MAOBMEN1KMT2AMAPT
SCHEMBL30153587 0.79 CYP3A4 (0.58) CYP3A4MAOBMEN1KMT2AMAPT

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 CYP3A4 3415/4885MAOB 1279/4885MEN1 1847/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CYP3A4 3415/4885MAOB 1279/4885MEN1 1847/4885

“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.