SCHEMBL2396776

SCHEMBL2396776

CCOC(=O)CNc1ccc(Cl)cc1Oc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MAPT P10636 8/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 8/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2395176 0.88 LMNA (0.45) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL2395020 0.83 GAA (0.43) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL2393320 0.82 PTGDR2 (0.47) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL10995688 0.79 TDP1 (0.59) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL8607862 0.78 LMNA (0.72) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL13742579 0.77 ALDH1A1 (0.52) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL29208551 0.77 LMNA (0.59) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL3597798 0.77 MAPT (0.74) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL24460021 0.76 ALDH1A1 (0.56) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL26841476 0.76 LMNA (0.61) LMNAMAPTKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
US-8022248-B2 3-[2-(3-Cyanophenoxy)-4-(trifluoromethyl)phenyl]propanoic acid;prostaglandin D2 inhibitor, orphan receptor CRTH2 antagonist; antiinflammatory, analgesic, antipyretic; respiratory system disorders: asthma and rhinitis; coupling amino/thio-phenyl derivatives with ester followed by hydrolysis to acid ASTRAZENECA AB (SE) 2011-09-20 US disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 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 (1 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-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 LMNA 1920/4885MAPT 3453/4885KDM4E 3771/4885

“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.