SCHEMBL5513403

SCHEMBL5513403

Cc1cc(Cl)c2cc(C)c(COc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FFAR1 O14842 1/20 0.42
IKBKB O14920 1/20 0.42
LMNA P02545 1/20 0.40
PTGER4 P35408 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.38
GRM5 P41594 1/20 0.37
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
MAOB P27338 2/20 0.37
CYP3A4 P08684 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL5522979 0.82 NOS3 (0.50) MAPTPKMMAPK1SMN1; SMN2RXFP1
SCHEMBL6871648 0.81 NOS3 (0.49) MAPTPKMMAPK1SMN1; SMN2RXFP1
SCHEMBL5033273 0.81 MAOB (0.52) MAPTFFAR1GRM5NOS3NOS1
SCHEMBL5527339 0.80 NCF1 (0.44) PKMMAPK1SMN1; SMN2RXFP1FFAR1
SCHEMBL5516334 0.80 IDH1 (0.42) MAPTPKMMAPK1SMN1; SMN2RXFP1
SCHEMBL6871642 0.80 NOS3 (0.48) MAPTPKMMAPK1SMN1; SMN2RXFP1
SCHEMBL5519972 0.79 MAPT (0.40) MAPTPKMMAPK1SMN1; SMN2RXFP1
SCHEMBL7151698 0.77 TSHR (0.44) MAPTPKMMAPK1SMN1; SMN2RXFP1
SCHEMBL5522730 0.75 HRH2 (0.40) PKMMAPK1SMN1; SMN2RXFP1IKBKB
SCHEMBL5522722 0.75 HRH2 (0.40) PKMMAPK1SMN1; SMN2RXFP1IKBKB

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 10 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
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
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 MAPT 4336/4885PKM 3039/4885MAPK1 1559/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R MAPT 4644/4885PKM 2995/4885MAPK1 2714/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN MAPT 4336/4885PKM 3039/4885MAPK1 1559/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R MAPT 3290/4885PKM 3080/4885MAPK1 3360/4885

“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.