SCHEMBL5532256

SCHEMBL5532256

Cc1cc(O)c2cc(Br)c(OCc3ccccc3)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.41
MAOB P27338 2/20 0.41
ELANE P08246 1/20 0.40
ADAM17 P78536 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
GCK P35557 1/20 0.39
RHEB Q15382 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 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
SCHEMBL6872247 0.93 MAPT (0.44) SMN1; SMN2STAT3HTTRAB9AMAOB
SCHEMBL5521439 0.85 MAPT (0.50) SMN1; SMN2STAT3HTTRAB9AELANE
SCHEMBL5513297 0.79 NCF1 (0.54) SMN1; SMN2STAT3HTTRAB9AADAM17
SCHEMBL3645761 0.79 MAOB (0.51) SMN1; SMN2RAB9AMAOBLMNA
SCHEMBL5042843 0.78 CYP3A4 (0.51) RAB9AMAOBMAPTMAPK1TDP1
SCHEMBL5040481 0.77 ESR1 (0.40) L3MBTL1
SCHEMBL3610590 0.76 SMN1; SMN2 (0.49) SMN1; SMN2STAT3HTTRAB9AMAOB
SCHEMBL659166 0.75 MAPT (0.50) SMN1; SMN2STAT3HTTMAOBMAPT
SCHEMBL1564276 0.74 HTT (0.59) SMN1; SMN2STAT3HTTADAM17MAPT
SCHEMBL9450684 0.73 ALDH1A1 (0.54) SMN1; SMN2STAT3HTTELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166589-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
CN-1289087-C Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity KLUG MICHAEL G 2006-07-06 US disclosed
US-7064134-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-20 US disclosed
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity KLUG MICHAEL G 2006-03-23 US disclosed
US-7012073-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
CN-1607951-A Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2005-04-20 CN disclosed
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US disclosed
US-6787558-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS, FOR TREATING ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS AND OBESITY HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
EP-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 EP disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 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 (4 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-20030158179-A1 Quinoline derivatives RAB1A, GLS, REN SMN1; SMN2 3155/4885STAT3 2074/4885HTT 550/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R SMN1; SMN2 3309/4885STAT3 1270/4885HTT 697/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN SMN1; SMN2 3155/4885STAT3 2074/4885HTT 550/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R SMN1; SMN2 3744/4885STAT3 1044/4885HTT 174/4885

“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.