SCHEMBL5033268

SCHEMBL5033268

Nc1ccc(F)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
MAOB P27338 4/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
MAOA P21397 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
KDM1A O60341 7/20 0.49
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
PTGER1 P34995 1/20 0.46
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL371725 0.86 MAOB (0.53) CYP19A1MAOBMAPTL3MBTL1GAA
Hydrochloric Acid SCHEMBL11418706 0.85 MAOB (0.51) CYP19A1MAOBMAPTL3MBTL1GAA
SCHEMBL5659691 0.84 MAOB (0.58) CYP19A1MAOBMAPTL3MBTL1GAA
SCHEMBL8298067 0.82 MAOB (0.56) CYP19A1MAOBMAPTL3MBTL1GAA
Hydrochloric Acid SCHEMBL11596441 0.82 GAA (0.56) CYP19A1MAOBMAPTL3MBTL1GAA
SCHEMBL5571351 0.81 MAOB (0.53) CYP19A1MAOBMAPTL3MBTL1GAA
SCHEMBL28399722 0.81 LMNA (0.52) MAPTL3MBTL1GAAKDM1AMRGPRX4
SCHEMBL11857933 0.81 CYP19A1 (0.57) CYP19A1MAOBMAPTL3MBTL1GAA
SCHEMBL31166954 0.81 ALOX5 (0.58) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL7430696 0.81 LTA4H (0.49) CYP19A1MAOBMAPTL3MBTL1GAA

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
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
CN-110483366-A Benzazole compounds and preparation method thereof, pharmaceutical composition and purposes INST MATERIA MEDICA CAMS 2019-11-22 CN disclosed
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 CYP19A1 3053/4885MAOB 1279/4885MAPT 3753/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CYP19A1 3053/4885MAOB 1279/4885MAPT 3753/4885

“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.