SCHEMBL5028682

SCHEMBL5028682

Cc1cc(=O)c2c(I)c(C)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.45
CYP1A2 P05177 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
ESR1 P03372 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL20886855 0.74 CYP1A2 (0.56) KDM4EALDH1A1HPGDCYP1A2GAA
SCHEMBL32690180 0.69 KDM4E (1.00) KDM4EALDH1A1HPGDCYP1A2GAA
SCHEMBL5637417 0.68 CYP1A2 (0.53) KDM4EALDH1A1HPGDCYP1A2GAA
SCHEMBL9136107 0.68 KDM4E (0.42) KDM4EALDH1A1HPGDCYP1A2GAA
SCHEMBL19032114 0.65 MAPT (0.49) KDM4EALDH1A1HPGDCYP1A2GAA
SCHEMBL4791757 0.64 ALDH1A1 (1.00) KDM4EALDH1A1HPGDCYP1A2GAA
SCHEMBL30374884 0.64 ALDH1A1 (1.00) KDM4EALDH1A1HPGDCYP1A2GAA
SCHEMBL21050748 0.64 GRIA1 (0.40) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL9724226 0.63 ALDH1A1 (0.60) KDM4EALDH1A1HPGDCYP1A2GAA
SCHEMBL11263377 0.63 ALDH1A1 (0.45) KDM4EALDH1A1HPGDCYP1A2GAA

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
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO 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 KDM4E 1521/4885ALDH1A1 700/4885HPGD 2742/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R KDM4E 1610/4885ALDH1A1 3610/4885HPGD 3959/4885
US-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R KDM4E 2067/4885ALDH1A1 1477/4885HPGD 991/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN KDM4E 1521/4885ALDH1A1 700/4885HPGD 2742/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R KDM4E 1309/4885ALDH1A1 4005/4885HPGD 4541/4885

“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.