SCHEMBL5434834

SCHEMBL5434834

O=C(NCc1cc(F)cc2c1OCOC2)c1cc2ccccc2n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PLA2G10 O15496 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ELANE P08246 2/20 0.40
MAPK8 P45983 1/20 0.38
CCR1 P32246 4/20 0.38
CXCR5 P32302 1/20 0.37
HTR7 P34969 2/20 0.36
DDR1 Q08345 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL5758834 0.86 ELANE (0.55) GALR3NR2F2NPC1RAB9APOLB
SCHEMBL560933 0.85 NPC1 (0.47) GALR3NR2F2NPC1RAB9APOLB
SCHEMBL31490318 0.85 NPC1 (0.47) GALR3NR2F2NPC1RAB9APOLB
SCHEMBL4027384 0.84 GALR3 (0.46) GALR3NR2F2NPC1RAB9APOLB
SCHEMBL5434616 0.82 PLA2G10 (0.48) PLA2G10ELANEMAPK8CCR1HTR7
SCHEMBL5434666 0.79 ELANE (0.55) NPC1RAB9APOLBNPSR1KDM4E
SCHEMBL5434662 0.79 PLA2G10 (0.51) PLA2G10ELANECCR1HTR7GSR
SCHEMBL5442993 0.79 TP53 (0.47) NPC1POLBPLA2G10ALDH1A1ELANE
SCHEMBL5437758 0.79 TP53 (0.58) NPC1PLA2G10ELANECCR1
SCHEMBL5435540 0.79 PLA2G10 (0.50) PLA2G10ALDH1A1ELANECCR1GSR

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-20070010551-A1 Quinoline derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1660452-A1 QUINOLINE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-05-31 EP disclosed
WO-2005021509-A1 QUINOLINE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-10 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-20070010551-A1 Quinoline derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, MPO GALR3 498/4885NR2F2 3239/4885NPC1 1968/4885

“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.