SCHEMBL2392090

SCHEMBL2392090

CC(c1cc2cc([N+](=O)[O-])ccc2o1)N(O)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.65
POLB P06746 2/20 0.53
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
F12 P00748 1/20 0.41

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
SCHEMBL2395181 0.79 ALOX5 (1.00) ALOX5MAOBALDH1A1
SCHEMBL9441415 0.78 POLB (0.52) POLBCA12CA9MAOBMAOA
SCHEMBL8618928 0.78 CA12 (0.55) POLBCA12CA9MAOBMAOA
SCHEMBL6341962 0.77 ALOX5 (0.68) ALOX5GAA
SCHEMBL8565886 0.76 CA12 (0.52) POLBCA12CA9MAOBMAOA
Hydrochloric Acid SCHEMBL8899276 0.74 POLB (0.49) POLBCA12CA9MAOBMAOA
SCHEMBL4001852 0.74 POLB (0.69) POLBCA12CA9MAOBMAOA
SCHEMBL8896432 0.74 CA12 (0.44) ALOX5POLBCA12CA9MAOB
SCHEMBL3488219 0.73 CA12 (0.68) POLBCA12CA9MAOBMAOA
SCHEMBL31290976 0.73 CA12 (0.68) POLBCA12CA9MAOBMAOA

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 5 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-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 (3 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 3/4885POLB 953/4885CA12 2898/4885
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 3/4885POLB 872/4885CA12 2898/4885
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 3/4885POLB 953/4885CA12 2898/4885

“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.