SCHEMBL5033245

SCHEMBL5033245

CCCCc1cc2c(=O)cc[nH]c2cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MTNR1A P48039 3/20 0.42
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PPARG P37231 1/20 0.41
RIN1 Q13671 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
PTGER1 P34995 2/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
GAA P10253 1/20 0.40
SLC6A4 P31645 1/20 0.39
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
HTR1D P28221 1/20 0.38

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
SCHEMBL20216757 0.83 IMPDH2 (0.47)
SCHEMBL12663538 0.82 POLB (0.53) POLBNSD2ABL1PPARGRIN1
SCHEMBL371638 0.81 CTSV (0.61) POLBNSD2ABL1PPARGRIN1
SCHEMBL4475229 0.81 CTSV (0.61) POLBNSD2ABL1PPARGRIN1
SCHEMBL5040429 0.79 ALDH1A1 (0.60) POLB
SCHEMBL27567115 0.78 ALDH1A1 (0.45) POLBMTNR1ACTSVCTSLPTGER1
Nequinate SCHEMBL1509158 0.77 ALDH1A1 (0.52) POLBMTNR1A
Nequinate SCHEMBL29365503 0.77 ALDH1A1 (0.52) POLBMTNR1A
SCHEMBL6431029 0.76 IMPDH2 (0.50) POLBNSD2ABL1PPARGRIN1
SCHEMBL1894604 0.76 ALDH1A1 (0.45) POLBCTSVCTSLPTGER1SRD5A1

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
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
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
EP-0994846-A1 METHOD FOR PREPARING 4-(ALKYL)-3-ALKOXY-ANILINE COMPOUNDS MERIAL (FR) 2000-04-26 EP disclosed
WO-1998057921-A1 METHOD FOR PREPARING 4-(ALKYL)-3-ALKOXY-ANILINE COMPOUNDS MERIAL (FR) 1998-12-23 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 (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 POLB 4789/4885MTNR1A 109/4885NSD2 3029/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R POLB 4789/4885MTNR1A 109/4885NSD2 3029/4885

“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.