SCHEMBL340946

SCHEMBL340946

NCC(=O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.68
PLOD2 O00469 3/20 0.66
PLOD3 O60568 3/20 0.66
PLOD1 Q02809 3/20 0.66
GSK3B P49841 1/20 0.50
AGXT P21549 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
PRKDC P78527 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AKR1C3 P42330 2/20 0.48
HDAC3 O15379 2/20 0.47

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
SCHEMBL341384 0.86 ALDH1A1 (0.66) KMOPLOD2PLOD3PLOD1AGXT
SCHEMBL3831932 0.85 KMO (0.68) KMOPLOD2PLOD3PLOD1GSK3B
SCHEMBL15567860 0.85 GSK3B (0.70) KMOPLOD2PLOD3PLOD1GSK3B
SCHEMBL9081605 0.85 ALDH1A1 (0.64) KMOPLOD2PLOD3PLOD1AGXT
SCHEMBL303084 0.84 KMO (0.77) KMOPLOD2PLOD3PLOD1GSK3B
Hydrochloric Acid SCHEMBL14742166 0.83 KMO (0.74) KMOPLOD2PLOD3PLOD1GSK3B
SCHEMBL7025664 0.83 GSK3B (0.71) KMOPLOD2PLOD3PLOD1GSK3B
SCHEMBL10739904 0.82 PLOD2 (0.66) KMOPLOD2PLOD3PLOD1AGXT
SCHEMBL14697008 0.82 KMO (0.68) KMOPLOD2PLOD3PLOD1AGXT
SCHEMBL3495303 0.82 KMO (0.68) KMOPLOD2PLOD3PLOD1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
CN-103347859-B Synthesis and Anticancer Activity of Aryl and Heteroaryl Quinoline Derivatives EFFICIENT PHARMA MANAGEMENT CORP. (CN) 2015-12-02 CN disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO disclosed
US-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed
WO-1996010563-A1 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-04-11 WO disclosed
US-4656267-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-04-07 US disclosed
US-4555571-A Substituted 2(1H)-quinazolinone-1-alkanoic acids and esters ORTHO PHARMACEUTICAL CORPORATION (US) 1985-11-26 US disclosed
EP-0138491-A2 Substituted 2(1H)-quinazolinone-1-alkanoic acids and esters ORTHO PHARMACEUTICAL CORPORATION (US) 1985-04-24 EP 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 (1 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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 KMO 490/4885PLOD2 3794/4885PLOD3 4337/4885

“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.