SCHEMBL2397559

SCHEMBL2397559

CNC(=O)N(O)C(C)c1cn(C)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CMA1 P23946 1/20 0.44
POLB P06746 2/20 0.43
NR4A2 P43354 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
APAF1 O14727 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
SCHEMBL5689888 0.85 KDM4E (0.51) KDM4EIDO1ALDH1A1SMN1; SMN2POLB
SCHEMBL2395366 0.83 ALOX5 (0.53) KDM4EIDO1ALDH1A1SMN1; SMN2MEN1
SCHEMBL27749752 0.73 KDM4E (0.57) KDM4EIDO1ALDH1A1SMN1; SMN2POLB
SCHEMBL2687045 0.72 KDM4E (0.64) KDM4EIDO1ALDH1A1SMN1; SMN2POLB
SCHEMBL13203774 0.71 NR4A2 (0.55) KDM4EIDO1ALDH1A1SMN1; SMN2CMA1
SCHEMBL2184960 0.71 NR4A2 (0.55) KDM4EIDO1ALDH1A1SMN1; SMN2CMA1
SCHEMBL4092924 0.71 IDO1 (0.58) KDM4EIDO1ALDH1A1SMN1; SMN2POLB
SCHEMBL820361 0.70 IDO1 (0.61) KDM4EIDO1ALDH1A1SMN1; SMN2POLB
SCHEMBL28836470 0.70 KDM4E (0.66) KDM4EIDO1ALDH1A1SMN1; SMN2POLB
SCHEMBL18383119 0.70 NR4A2 (0.56) KDM4EIDO1ALDH1A1SMN1; SMN2CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110209699-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2011-09-01 US disclosed
US-20050090455-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS, LLC. 2005-04-28 US disclosed
US-20050043282-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC 2005-02-24 US disclosed
US-20050020665-A1 Pharmaceutical composition for treating multiple sclerosis NEU INGO (DE) 2005-01-27 US disclosed
EP-0279263-B1 INDOLE, BENZOFURAN, BENZOTHIOPHENE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-04 EP disclosed
US-4873259-A Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-10-10 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 (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-20050090455-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease HSD11B2, CYP17A1, ALOX5 KDM4E 1785/4885IDO1 1499/4885ALDH1A1 273/4885
US-20050020665-A1 Pharmaceutical composition for treating multiple sclerosis NR1H3, NR1H2, NR1H4 KDM4E 3284/4885IDO1 2743/4885ALDH1A1 3703/4885
US-20050043282-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease HSD11B2, CYP17A1, ALOX5 KDM4E 1676/4885IDO1 1437/4885ALDH1A1 257/4885
US-20110209699-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE HSD11B2, CYP17A1, ALOX5 KDM4E 1785/4885IDO1 1499/4885ALDH1A1 273/4885

“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.