SCHEMBL6329154

SCHEMBL6329154

O=c1nc(-c2ccccc2F)c2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 4/20 0.61
HSD17B10 Q99714 3/20 0.61
HPGD P15428 3/20 0.61
TSHR P16473 1/20 0.61
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
C1R P00736 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
APP P05067 2/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PADI4 Q9UM07 1/20 0.41

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
SCHEMBL5804933 0.83 AKT1 (0.46) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL11460647 0.83 MEN1 (0.67) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8620910 0.81 KDM4E (0.61) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL3462347 0.81 KDM4E (0.61) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8621648 0.78 KDM4E (0.89) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL6329236 0.77 KDM4E (0.76) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL7702065 0.77 KDM4E (0.65) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4142958 0.76 KDM4E (1.00) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL11739097 0.76 TNKS (0.43) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL27754605 0.75 KDM4E (0.58) ALDH1A1KDM4EHSD17B10HPGDTSHR

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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 US disclosed
US-5849861-A Polyquinazolines and methods for their preparation HITACHI CHEMICAL CO., LTD. (JP) 1998-12-15 US disclosed
US-5686560-A TREATING A MONOMER WITH A BASE IN A DIPOLAR SOLVENT HITACHI CHEMICAL CO., LTD. (JP) 1997-11-11 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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 ALDH1A1 730/4885KDM4E 1392/4885HSD17B10 1029/4885

“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.