SCHEMBL5435722

SCHEMBL5435722

COc1coc(CNC(=O)c2cc3ccccc3n(-c3cccc(C(F)(F)F)c3)c2=O)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.43
ELANE P08246 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
CCR1 P32246 1/20 0.39
MET P08581 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5757578 0.86 ELANE (0.59) ELANEALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL31490105 0.85 ELANE (0.46) ELANEALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL561120 0.85 ELANE (0.46) ELANEALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL5451795 0.85 GAA (0.50) PLA2G10ELANEALDH1A1MEN1MAPT
SCHEMBL4021296 0.84 ELANE (0.43) ELANEALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL5443274 0.83 POLB (0.57) PLA2G10ELANEALDH1A1MEN1MAPT
SCHEMBL5434347 0.81 RECQL (0.56) PLA2G10ELANEMEN1MAPTKMT2A
SCHEMBL5444631 0.80 TP53 (0.53) PLA2G10ELANEALDH1A1MEN1MAPT
SCHEMBL5443070 0.80 KDM4E (0.54) PLA2G10ELANECCR1KDM4E
SCHEMBL5442982 0.80 MAPT (0.47) PLA2G10MEN1CYP1A2CYP3A4MAPT

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-20070010551-A1 Quinoline derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2007-01-11 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-20070010551-A1 Quinoline derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, MPO PLA2G10 1148/4885ELANE 2/4885ALDH1A1 1230/4885

“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.