SCHEMBL706809

SCHEMBL706809

NS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
ALDH1A1 P00352 2/20 1.00
MEN1 O00255 10/20 0.61
KMT2A Q03164 10/20 0.61
G6PD P11413 1/20 0.59
GFER P55789 1/20 0.59
LMNA P02545 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
PKM P14618 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 5/20 0.57
GAA P10253 2/20 0.57
CDK2 P24941 2/20 0.56
AHR P35869 1/20 0.56
PHGDH O43175 1/20 0.56
ALPL P05186 1/20 0.56
GSK3B P49841 1/20 0.53
BLM P54132 1/20 0.53
PDK1 Q15118 1/20 0.53

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
SCHEMBL396870 0.83 ALDH1A1 (0.80) KDM4EALDH1A1MEN1KMT2AGFER
SCHEMBL3036591 0.83 KDM4E (0.71) KDM4EALDH1A1MEN1KMT2AG6PD
SCHEMBL17131893 0.83 KDM4E (0.71) KDM4EALDH1A1MEN1KMT2AG6PD
SCHEMBL31358765 0.76 MEN1 (1.00) KDM4EALDH1A1MEN1KMT2AG6PD
SCHEMBL12177745 0.76 ALDH1A1 (0.69) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL18891690 0.75 ALDH1A1 (0.60) KDM4EALDH1A1MEN1KMT2AG6PD
SCHEMBL6737754 0.75 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2AG6PD
SCHEMBL3366641 0.74 MEN1 (0.79) KDM4EALDH1A1MEN1KMT2AG6PD
SCHEMBL3366643 0.74 MEN1 (0.79) KDM4EALDH1A1MEN1KMT2AG6PD
SCHEMBL398700 0.74 ALDH1A1 (0.67) KDM4EALDH1A1LMNAL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005530823-A 2005-10-13 JP claimed
US-20050215553-A1 Hexahydropyridazine-3-carboxylic acid hydrazide and hydrazone derivatives, combinatorial libraries containing same, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-09-29 US claimed
EP-1515953-A2 NOVEL HEXAHYDRO-PYRIDAZINE-3-CARBOCYLIC ACID HYDRAZIDE OR HYDRAZONE DERIVATIVES, COMBINATORIAL LIBRARIES CONTAINING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND METHODS FOR PREPARING SAME Aventis Pharma S.A. (FR) 2005-03-23 EP claimed
WO-2003106431-A2 NOVEL HEXAHYDRO-PYRIDAZINE-3-CARBOCYLIC ACID HYDRAZIDE OR HYDRAZONE DERIVATIVES, COMBINATORIAL LIBRARIES CONTAINING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND METHODS FOR PREPARING SAME AVENTIS PHARMA S.A. (FR) 2003-12-24 WO claimed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA S.R.L. (IT) 2005-01-27 US disclosed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
WO-2003106431-A2 NOVEL HEXAHYDRO-PYRIDAZINE-3-CARBOCYLIC ACID HYDRAZIDE OR HYDRAZONE DERIVATIVES, COMBINATORIAL LIBRARIES CONTAINING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND METHODS FOR PREPARING SAME AVENTIS PHARMA S.A. (FR) 2003-12-24 WO disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed
WO-1998053790-A2 COMPOUNDS THAT INHIBIT THE BINDING OF VASCULAR ENDOTHELIAL GROWTH FACTOR TO ITS RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-12-03 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 (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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 KDM4E 2375/4885ALDH1A1 2602/4885MEN1 2267/4885
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 KDM4E 1552/4885ALDH1A1 2424/4885MEN1 4108/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 KDM4E 317/4885ALDH1A1 3670/4885MEN1 1913/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 KDM4E 1909/4885ALDH1A1 1723/4885MEN1 2413/4885
US-20050215553-A1 Hexahydropyridazine-3-carboxylic acid hydrazide and hydrazone derivatives, combinatorial libraries containing same, pharmaceutical compositions containing same and methods of preparation HK1, ACE, CTSZ KDM4E 2325/4885ALDH1A1 448/4885MEN1 1759/4885
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY BRDT, BRD4, BRD1 KDM4E 1552/4885ALDH1A1 2424/4885MEN1 4108/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 KDM4E 1909/4885ALDH1A1 1723/4885MEN1 2413/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 KDM4E 710/4885ALDH1A1 3566/4885MEN1 1149/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 KDM4E 317/4885ALDH1A1 3670/4885MEN1 1913/4885

“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.