SCHEMBL3525035

SCHEMBL3525035

CN1Cc2ccccc2N(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
CREBBP Q92793 1/20 0.47
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
TTR P02766 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
BRPF1 P55201 1/20 0.38
SLC6A4 P31645 2/20 0.38
HRH1 P35367 2/20 0.38
MAOA P21397 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL19888238 0.81 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5705204 0.81 BRD4 (0.44) BRD4CREBBPMEN1KMT2ASMN1; SMN2
SCHEMBL5160711 0.79 MEN1 (0.50) BRD4CREBBPMEN1KMT2ATTR
SCHEMBL18034998 0.78
SCHEMBL6362104 0.78 HPGD (0.54) BRD4CREBBPMEN1KMT2ACES1
SCHEMBL6365331 0.78 NPC1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL6362811 0.78 HRH1 (0.42) BRD4CREBBPMEN1KMT2ASMN1; SMN2
SCHEMBL6366523 0.78 HSD17B3 (0.43) BRD4CREBBPMEN1KMT2AALDH1A1
SCHEMBL13015326 0.78 BRD4 (0.42) BRD4CREBBPKMT2ASMN1; SMN2ALDH1A1
SCHEMBL12794237 0.78 MEN1 (0.38) BRD4CREBBPMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP claimed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO claimed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
EP-1317013-B1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 US disclosed
US-6942948-B2 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-13 US disclosed
US-20030165733-A1 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-09-04 US disclosed
EP-1317013-A1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-04 EP disclosed
WO-1993004047-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1993-03-04 WO disclosed
US-4764512-A Benzodiazinone-pyridone compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1988-08-16 US 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 (9 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 BRD4 2269/4885CREBBP 888/4885BRD2 2333/4885
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 BRD4 815/4885CREBBP 261/4885BRD2 845/4885
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 BRD4 860/4885CREBBP 724/4885BRD2 951/4885
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 BRD4 1598/4885CREBBP 1130/4885BRD2 1852/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 BRD4 1935/4885CREBBP 758/4885BRD2 1831/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 BRD4 3226/4885CREBBP 883/4885BRD2 3619/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 BRD4 1935/4885CREBBP 758/4885BRD2 1831/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 BRD4 1926/4885CREBBP 3894/4885BRD2 3437/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR BRD4 1662/4885CREBBP 1240/4885BRD2 1838/4885

“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.