SCHEMBL2397460

SCHEMBL2397460

CNC(=O)N(O)Cc1cc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.54
ADRB2 P07550 1/20 0.54
ASIC3 Q9UHC3 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
IDH1 O75874 1/20 0.44
AGXT P21549 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL2396236 0.86 CYP2A6 (0.48) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL10480282 0.83 HDAC1 (0.42) CYP2A6ADRB2IDH1HDAC1
SCHEMBL5691284 0.81 CYP2A6 (0.51) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL2396391 0.80 CYP2A6 (0.54) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL1177008 0.77 CYP2A6 (0.58) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL21400323 0.76 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL14106983 0.74 CYP2A6 (0.60) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL2396386 0.73 LOXL2 (0.46) LOXL2AGXTHDAC3HDAC1HDAC2
SCHEMBL7026250 0.73 CYP2A6 (0.54) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL23032173 0.72 CYP2A6 (0.49) CYP2A6ADRB2ASIC3LOXL2AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363618-B1 PHARMACEUTICAL COMPOSITION FOR TREATING MULTIPLE SCLEROSIS NEU INGO S (DE) 2006-05-03 EP claimed
US-20050020665-A1 Pharmaceutical composition for treating multiple sclerosis NEU INGO (DE) 2005-01-27 US claimed
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 CYP2A6 356/4885ADRB2 330/4885ASIC3 4278/4885
US-20050020665-A1 Pharmaceutical composition for treating multiple sclerosis NR1H3, NR1H2, NR1H4 CYP2A6 996/4885ADRB2 176/4885ASIC3 301/4885
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 CYP2A6 365/4885ADRB2 345/4885ASIC3 4340/4885
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 CYP2A6 356/4885ADRB2 330/4885ASIC3 4278/4885

“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.