SCHEMBL5022784

SCHEMBL5022784

Cc1cc(Cl)c2c(I)c(C)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.43
POLB P06746 2/20 0.40
NCF1 P14598 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.35
APEX1 P27695 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NR4A2 P43354 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL5513233 0.80 LMNA (0.42) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL5412870 0.76 MAPT (0.47) LMNAMAPTCYP1A2POLBNCF1
SCHEMBL4744528 0.76 LMNA (0.52) LMNAMAPTCYP1A2POLBNCF1
SCHEMBL4748400 0.73 MAPT (0.52) LMNAMAPTCYP1A2POLBNCF1
SCHEMBL3646808 0.73 LMNA (0.68) LMNAMAPTCYP1A2POLBNCF1
SCHEMBL11088559 0.71 MAPT (0.60) LMNAMAPTCYP1A2POLBNCF1
SCHEMBL30824509 0.69 MAPT (0.67) LMNAMAPTCYP1A2NCF1L3MBTL1
SCHEMBL318704 0.69 MAPT (0.67) LMNAMAPTCYP1A2NCF1L3MBTL1
SCHEMBL10754312 0.69 PARP1 (0.47) LMNAMAPTPOLBL3MBTL1MEN1
SCHEMBL10824124 0.68 LMNA (0.72) LMNAMAPTCYP1A2POLBNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
US-7166589-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US 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
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP 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-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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 (5 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 LMNA 2524/4885MAPT 4336/4885CYP1A2 124/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R LMNA 2603/4885MAPT 4644/4885CYP1A2 2728/4885
US-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R LMNA 2624/4885MAPT 3523/4885CYP1A2 849/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN LMNA 2524/4885MAPT 4336/4885CYP1A2 124/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R LMNA 2424/4885MAPT 3290/4885CYP1A2 3630/4885

“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.