SCHEMBL4574516

SCHEMBL4574516

F[C]Nc1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.59
NPC1 O15118 11/20 0.46
RAB9A P51151 9/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KMT2A Q03164 3/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.43
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL969950 0.80 NCF1 (0.59) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2852899 0.80 NCF1 (0.59) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5565908 0.80 NCF1 (0.59) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL10458402 0.76 NCF1 (0.71) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL30760998 0.76 NCF1 (0.71) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5506476 0.74 NCF1 (1.00) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5806618 0.74 NCF1 (0.68) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4937770 0.72 NCF1 (0.65) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL22593292 0.72 NCF1 (0.65) NCF1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6645329 0.72 NCF1 (0.65) NCF1NPC1RAB9AKDM4ESMN1; SMN2

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
WO-2008067390-A9 METABOLITES OF 5-FLUORO-8-{4-[4-(6-METHOXYQUINOLIN-8-YL)PIPERAZIN-1-YL]PIPERIDIN-1-YL} QUINOLINE AND METHODS OF PREPARATION AND USES THEREOF WYETH CORP (US) 2009-05-22 WO disclosed
US-20080262228-A1 Metabolites of 5-fluoro-8- quinoline and methods of preparation and uses thereof WYETH (US) 2008-10-23 US disclosed
WO-2008067390-A2 METABOLITES OF 5-FLUORO-8-{4-[4-(6-METHOXYQUINOLIN-8-YL)PIPERAZIN-1-YL]PIPERIDIN-1-YL} QUINOLINE AND METHODS OF PREPARATION AND USES THEREOF WYETH (US) 2008-06-05 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-20080262228-A1 Metabolites of 5-fluoro-8- quinoline and methods of preparation and uses thereof UGT1A8, CYP2C8, NQO1 NCF1 3794/4885NPC1 298/4885RAB9A 212/4885

“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.