SCHEMBL2272178

SCHEMBL2272178

CNC(=O)c1cc(I)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.56
NOTUM Q6P988 1/20 0.51
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.44
CCR1 P32246 2/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPY5R Q15761 2/20 0.41
BRD9 Q9H8M2 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
SCHEMBL4126909 0.87 ELANE (0.57) ELANENOTUMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL984085 0.87 NOTUM (0.64) ELANENOTUMCYP1A2POLBLMNA
SCHEMBL8229059 0.86 NOTUM (0.51) ELANENOTUMKDM4ECYP1A2BRD9
SCHEMBL4152986 0.86 ELANE (0.50) ELANENOTUMCYP1A2CCR1LMNA
SCHEMBL4137643 0.86 PDE4B (0.50) ELANENOTUMSMN1; SMN2
SCHEMBL27716691 0.86 NOTUM (0.53) ELANENOTUMCYP1A2POLBLMNA
SCHEMBL8053624 0.84 ELANE (0.49) ELANENOTUMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27643868 0.84 ELANE (0.57) ELANENOTUMCCR1
SCHEMBL560875 0.83 ELANE (0.77) ELANE
SCHEMBL1604233 0.83 KDM4E (0.49) ELANENOTUMKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998984-B2 2-pyridone derivatives for the treatment of disease or condition in which inhibition of neutrophil elastase activity is beneficial ASTRAZENECA AB (SE) 2011-08-16 US disclosed
EP-2018375-B1 2-PYRIDONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. ASTRAZENECA AB (SE) 2010-03-03 EP disclosed
US-20090131486-A1 2-PYRIDONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 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 (2 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-20090131486-A1 2-PYRIDONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL SERPINB1, ELANE, SERPINB6 ELANE 2/4885NOTUM 3441/4885KDM4E 3112/4885
US-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO ELANE 2/4885NOTUM 2654/4885KDM4E 977/4885

“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.