SCHEMBL2028207

SCHEMBL2028207

FC(c1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.47
NCF1 P14598 3/20 0.41
NOS2 P35228 1/20 0.41
BACE1 P56817 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MGAM O43451 1/20 0.40
PRNP P04156 1/20 0.39
MAPK10 P53779 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 2/20 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
SCHEMBL12915380 0.80 S1PR3 (0.49) S1PR3NCF1NOS2BACE1CA12
SCHEMBL1845696 0.79 NCF1 (0.46) S1PR3NCF1NOS2BACE1CA12
SCHEMBL30106721 0.79 NCF1 (0.46) S1PR3NCF1NOS2BACE1CA12
SCHEMBL4229661 0.78 ALDH1A1 (0.45) S1PR3NCF1NOS2BACE1CA12
SCHEMBL28818196 0.77 S1PR3 (0.47) S1PR3NCF1NOS2BACE1CA12
SCHEMBL11732619 0.77 S1PR3 (0.47) S1PR3NCF1NOS2BACE1CA12
SCHEMBL9094486 0.77 S1PR3 (0.47) S1PR3NCF1NOS2BACE1CA12
SCHEMBL7469957 0.77 S1PR3 (0.47) S1PR3NCF1NOS2BACE1CA12
Selenium SCHEMBL32667944 0.76 NCF1 (0.43) S1PR3NCF1NOS2BACE1CA12
SCHEMBL21580901 0.76 NCF1 (0.43) S1PR3NCF1NOS2BACE1CA12

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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 US disclosed
EP-2516403-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS Imperial Innovations Limited (GB) 2012-10-31 EP disclosed
WO-2011077095-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-06-30 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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS ERBB2, EGFR, ERBB4 S1PR3 449/4885NCF1 1105/4885NOS2 1838/4885

“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.