SCHEMBL4456355

SCHEMBL4456355

CC(CC=CC[O])Sc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.45
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7B Q9NP56 1/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 5/20 0.41
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL4456352 1.00 PDE7A (0.45) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL4456357 0.89 PDE7A (0.44) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL6556669 0.81 PDE7A (0.56) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL5878921 0.70 PDE7A (0.61) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL27581742 0.70 PDE7A (0.75) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL6815838 0.69 PDE7A (0.56) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL11292200 0.65 TDP1 (0.38) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL6811842 0.65 PDE7A (0.51) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL7605579 0.65 PDE7A (0.67) PDE7APDE4BPDE4DPDE7BHSD17B10
SCHEMBL11024226 0.65 PDE7A (0.58) PDE7APDE4BPDE4DPDE7BHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090317476-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LEUKOTRIENE RECEPTOR ANTAGONIST FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2009-12-24 US disclosed
EP-1653910-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LEUKOTRIENE RECEPTOR ANTAGONIST FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE Epigenesis Pharmaceuticals LLC (US) 2006-05-10 EP disclosed
US-20050101544-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a leukotriene receptor antagonist for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS, LLC 2005-05-12 US disclosed
WO-2005011595-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LEUKOTRIENE RECEPTOR ANTAGONIST FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2005-02-10 WO disclosed
US-20050026882-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a leukotriene receptor antagonist for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC 2005-02-03 US disclosed
US-5446058-A Leukotriene antagonists, 5-alpha-reductase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-29 US disclosed
EP-0463638-B1 Aminophenyl derivatives ONO PHARMACEUTICAL CO (JP) 1995-05-24 EP disclosed
EP-0173516-B1 (Fused)benz(thio)amides ONO PHARMACEUTICAL CO (JP) 1993-12-01 EP disclosed
EP-0463638-A1 Aminophenyl derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1992-01-02 EP disclosed
US-4939141-A (Fused) benz (thio) amides and pharmaceutical compositions, thereof ONO PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 US disclosed
US-4847275-A ENZYME INHIBITOR, LEUKOTRIENE ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 1989-07-11 US disclosed
US-4780469-A (Fused) benz(thio)amides and pharmaceutical use ONO PHARMACEUTICAL CO., LTD. (JP) 1988-10-25 US disclosed
EP-0173516-A2 (Fused)benz(thio)amides ONO PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 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-20050101544-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a leukotriene receptor antagonist for treatment of asthma or chronic obstructive pulmonary disease LTB4R, LTB4R2, CYSLTR1 PDE7A 231/4885PDE4B 1027/4885PDE4D 1038/4885
US-20050026882-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a leukotriene receptor antagonist for treatment of asthma or chronic obstructive pulmonary disease LTB4R2, LTB4R, CYSLTR2 PDE7A 239/4885PDE4B 980/4885PDE4D 990/4885
US-20090317476-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LEUKOTRIENE RECEPTOR ANTAGONIST FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE LTB4R, LTB4R2, CYSLTR1 PDE7A 231/4885PDE4B 1027/4885PDE4D 1038/4885

“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.