SCHEMBL2945463

SCHEMBL2945463

COc1ccc2ncc(F)c(N3CCN(CCNC(=O)O)CC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.44
HTR1A P08908 6/20 0.41
DRD3 P35462 2/20 0.40
HTR2A P28223 1/20 0.40
DRD2 P14416 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13238463 0.88 DRD2 (0.52) KCNH2DRD3DRD2KDM4EUSP2
SCHEMBL2952599 0.84 KCNH2 (0.42) KCNH2SLC2A1
SCHEMBL5548598 0.81 KCNH2 (0.39) KCNH2HTR1ASLC2A1KDM4EALDH1A1
SCHEMBL4068344 0.80 KCNH2 (0.42) KCNH2HTR1ADRD3HTR2ADRD2
SCHEMBL14169770 0.80 DRD2 (0.52) HTR1AHTR2ADRD2
SCHEMBL17844920 0.79 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL4070008 0.78 KCNH2 (0.44) KCNH2HTR1ADRD3HTR2ADRD2
SCHEMBL1224674 0.74 CHRNB2 (0.45) KCNH2ALDH1A1CYP1A2CYP2C9HSD17B10
SCHEMBL3373314 0.74 SLC2A1 (0.56) KCNH2SLC2A1
SCHEMBL2954817 0.73 KCNH2 (0.49) KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US claimed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 US claimed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 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 (2 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-20080139539-A1 Antibacterial Agents NQO2, NQO1, NRDC KCNH2 3002/4885HTR1A 4144/4885DRD3 2261/4885
US-20090181955-A1 Antibacterial Agents NQO2, NQO1, NRDC KCNH2 3002/4885HTR1A 4144/4885DRD3 2261/4885

“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.