SCHEMBL4146016

SCHEMBL4146016

NCc1cc(CCCO)no1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
NOTUM Q6P988 3/20 0.40
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL9849583 0.89 NOTUM (0.42) PPARANOTUMCYP2E1CYP2A6CYP2C9
Hydrochloric Acid SCHEMBL9548364 0.87 NOTUM (0.41) PPARANOTUMCYP2E1CYP2A6CYP2C9
SCHEMBL25013973 0.85 PPARA (0.41) PPARANOTUMSIRT2
SCHEMBL25653948 0.81 PPARA (0.51) PPARANOTUMCYP2E1CYP2A6CYP2C9
SCHEMBL2121795 0.80
SCHEMBL8605187 0.80 PPARA (0.57) PPARANOTUMCYP2E1CYP2A6CYP2C9
SCHEMBL459183 0.77 PPARA (0.43) PPARANOTUMCYP2E1CYP2A6CYP2C9
SCHEMBL9548278 0.75 PPARA (0.52) PPARANOTUMCYP2E1CYP2A6CYP2C9
SCHEMBL4167077 0.75 PPARA (0.42) PPARANOTUMCYP2E1CYP2A6CYP2C9
Hydrochloric Acid SCHEMBL9548291 0.74 PPARA (0.41) PPARANOTUMCYP2E1CYP2A6CYP2C9

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
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE HANSEN PETER 2009-05-21 US disclosed
EP-1861370-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2006098683-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-09-21 WO 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-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO PPARA 3705/4885NOTUM 2923/4885CYP2E1 667/4885

“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.