SCHEMBL5520751

SCHEMBL5520751

CCOC(=O)c1cc2nc(C)cc(Cl)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GLP1R P43220 1/20 0.41
ACHE P22303 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5516726 0.89 KDM4E (0.45) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL5519109 0.85 DPP4 (0.45) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL16621161 0.81 ALDH1A1 (0.63) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5518393 0.81 ALDH1A1 (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL31428597 0.81 ALDH1A1 (0.63) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5513069 0.80 NUDT1 (0.48) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL6732086 0.75 CYP4F2 (0.53) MAPTKMT2ATSHRKDM4EALDH1A1
SCHEMBL29923060 0.75 CYP4F2 (0.53) MAPTKMT2ATSHRKDM4EALDH1A1
SCHEMBL1059732 0.73 SMN1; SMN2 (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL31336305 0.73 SMN1; SMN2 (0.50) MAPTMEN1KMT2AKDM4EALDH1A1

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 4336/4885MEN1 621/4885KMT2A 1658/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R MAPT 4644/4885MEN1 532/4885KMT2A 2167/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN MAPT 4336/4885MEN1 621/4885KMT2A 1658/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R MAPT 3290/4885MEN1 953/4885KMT2A 992/4885

“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.