SCHEMBL303084

SCHEMBL303084

NC(=O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.77
PLOD2 O00469 2/20 0.60
PLOD3 O60568 2/20 0.60
PLOD1 Q02809 2/20 0.60
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PRKDC P78527 2/20 0.54
PIK3CD O00329 1/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
PIK3CG P48736 1/20 0.54
AKR1C3 P42330 2/20 0.52
LRRK2 Q5S007 2/20 0.52
STK4 Q13043 1/20 0.52
STK3 Q13188 1/20 0.52

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
Hydrochloric Acid SCHEMBL14742166 0.98 KMO (0.74) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL65857 0.87 KMO (1.00) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL30634127 0.87 KMO (1.00) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL3722032 0.86 KMO (0.58) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL21627430 0.86 AOC3 (0.61) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL4251811 0.85 KMO (0.74) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL13724478 0.85 KMO (0.74) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL14697008 0.84 KMO (0.68) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL340946 0.84 KMO (0.68) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL29933005 0.84 KDM1A (0.62) KMOPLOD2PLOD3PLOD1PIK3CA

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 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP claimed
JP-2012500835-A 2012-01-12 JP claimed
JP-2011524411-A 2011-09-01 JP claimed
EP-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 EP claimed
EP-2303861-A1 PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2011-04-06 EP claimed
EP-2190834-B1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2190834-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2010-06-02 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
EP-1919875-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS Astex Therapeutics Limited (GB) 2008-05-14 EP claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
EP-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP claimed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US claimed

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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG KMO 1707/4885PLOD2 3290/4885PLOD3 2731/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS KMO 499/4885PLOD2 833/4885PLOD3 2677/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A KMO 763/4885PLOD2 1958/4885PLOD3 2670/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B KMO 460/4885PLOD2 1343/4885PLOD3 2616/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG KMO 1707/4885PLOD2 3290/4885PLOD3 2731/4885

“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.