SCHEMBL2395366

SCHEMBL2395366

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.53
IDO1 P14902 1/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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 0.87 KDM4E (0.51) IDO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2397559 0.83 KDM4E (0.48) IDO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4092924 0.79 IDO1 (0.58) IDO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8685889 0.77 IDO1 (0.55) IDO1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3150864 0.75 IDO1 (0.54) IDO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL27749752 0.75 KDM4E (0.57) IDO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2687045 0.74 KDM4E (0.64) IDO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3904321 0.73 IDO1 (0.62) IDO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL29003631 0.72 KDM4E (0.62) IDO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL820361 0.72 IDO1 (0.61) IDO1KDM4EALDH1A1MEN1KMT2A

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 7 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
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 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 (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 ALOX5 3/4885IDO1 1499/4885KDM4E 1785/4885
US-20050020665-A1 Pharmaceutical composition for treating multiple sclerosis NR1H3, NR1H2, NR1H4 ALOX5 1826/4885IDO1 2743/4885KDM4E 3284/4885
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 ALOX5 3/4885IDO1 1437/4885KDM4E 1676/4885
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 ALOX5 3/4885IDO1 1499/4885KDM4E 1785/4885

“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.