SCHEMBL5033252

SCHEMBL5033252

Cc1cc(Cl)c2cc(F)c(OCc3ccccc3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
STAT3 P40763 2/20 0.45
LMNA P02545 4/20 0.44
RHEB Q15382 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
ELANE P08246 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR1 O14842 1/20 0.40
GCK P35557 1/20 0.39
GRM2 Q14416 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL5521439 0.85 MAPT (0.50) MAPTHTTSMN1; SMN2STAT3LMNA
SCHEMBL5036061 0.79 NCF1 (0.54) HTTSMN1; SMN2STAT3LMNAMAPK1
SCHEMBL6872247 0.79 MAPT (0.44) MAPTHTTSMN1; SMN2STAT3LMNA
SCHEMBL3646897 0.79 MAPT (0.55) MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL27586264 0.78 SMN1; SMN2 (0.39) MAPTHTTSMN1; SMN2STAT3LMNA
SCHEMBL5033238 0.78 MAPT (0.54) MAPTLMNATDP1
SCHEMBL18497724 0.78 MAPT (0.45) MAPTHTTSMN1; SMN2STAT3RHEB
SCHEMBL18497755 0.77 CNR1 (0.45) MAPTSMN1; SMN2POLB
SCHEMBL3427699 0.76 ENPP1 (0.45) MAPTHTTSMN1; SMN2STAT3LMNA
SCHEMBL18587382 0.76 MAPT (0.49) MAPTHTTSMN1; SMN2STAT3L3MBTL1

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 3753/4885HTT 224/4885SMN1; SMN2 4211/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAPT 3753/4885HTT 224/4885SMN1; SMN2 4211/4885

“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.