SCHEMBL5434832

SCHEMBL5434832

O=C(NCCCN1CCOCC1)c1cc2ccccc2n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 3/20 0.58
TSHR P16473 2/20 0.58
HPGD P15428 2/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
ADRA1A P35348 1/20 0.52
HTR2A P28223 3/20 0.52
HTR1A P08908 2/20 0.52
HTR2C P28335 2/20 0.52
KMT2A Q03164 1/20 0.50
GPR52 Q9Y2T5 1/20 0.48
SLC6A4 P31645 2/20 0.48
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48

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
SCHEMBL5446686 0.91 DRD2 (0.54) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL5441301 0.91 DRD2 (0.54) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL5439679 0.88 DRD2 (0.51) ALDH1A1KDM4EHSD17B10HPGDDRD2
SCHEMBL5757609 0.84 ELANE (0.56) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL5437717 0.84 PLA2G10 (0.47) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL5435559 0.84 ELANE (0.61) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL4023213 0.82 SMN1; SMN2 (0.50) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL5439631 0.81 ACHE (0.47) ALDH1A1KDM4EHSD17B10TSHRDRD2
SCHEMBL5443303 0.80 TP53 (0.49) ALDH1A1KDM4ESMN1; SMN2KMT2AGAA
SCHEMBL5443573 0.80 PLA2G10 (0.52) ALDH1A1KDM4ESMN1; SMN2KMT2ACNR1

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 ALDH1A1 1230/4885KDM4E 4180/4885HSD17B10 2239/4885

“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.