SCHEMBL4137779

SCHEMBL4137779

O=C(O)c1cccn(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
ALKBH5 Q6P6C2 1/20 0.50
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTT P42858 2/20 0.48
CFTR P13569 1/20 0.47
POLB P06746 2/20 0.46
SRD5A2 P31213 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.43
GRIK1 P39086 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
SCHEMBL5510400 0.88 ALDH1A1 (0.51) NOTUMALKBH5LMNATP53MAPT
SCHEMBL29815065 0.88 ALDH1A1 (0.51) NOTUMALKBH5LMNATP53MAPT
SCHEMBL26601277 0.85 KDM4E (0.47) LMNACFTRPOLBSRD5A2ALDH1A1
SCHEMBL1137068 0.82 KDM4E (0.54) NOTUMLMNAMAPTHTTPOLB
SCHEMBL4282578 0.81 HTT (0.51) NOTUMALKBH5LMNATP53MAPT
SCHEMBL11438383 0.79 NOTUM (0.54) NOTUMALKBH5LMNAHTTCFTR
SCHEMBL5759739 0.78 NOTUM (0.52) NOTUMALKBH5MAPTPOLBALDH1A1
SCHEMBL362582 0.76 LMNA (0.57) NOTUMLMNATP53MAPTRXFP1
SCHEMBL561046 0.76 NOTUM (0.68) NOTUMALKBH5MAPTPOLBALDH1A1
SCHEMBL5931045 0.75 KDM4E (0.49) LMNATP53RXFP1HTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO NOTUM 2654/4885ALKBH5 4352/4885LMNA 2525/4885

“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.