SCHEMBL3580231

SCHEMBL3580231

Cc1cnc2c(OS(=O)(=O)C(F)(F)F)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.36
DRD3 P35462 7/20 0.36
HTR1D P28221 2/20 0.36
DRD4 P21917 5/20 0.35
HTR5A P47898 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
ALPL P05186 1/20 0.34
DRD1 P21728 3/20 0.34
DRD5 P21918 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34

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
SCHEMBL3580886 0.89 ALPL (0.39) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL6636842 0.80 PDE4A (0.43) METAP2METAP1PDE4APDE4CPDE4D
SCHEMBL431316 0.79 ALDH1A1 (0.43) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL4818198 0.79 METAP2 (0.42) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL28416318 0.79 NQO2 (0.51) DRD2DRD3DRD4METAP2METAP1
SCHEMBL3578874 0.76 ALPL (0.39) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL3580521 0.76 MEN1 (0.48) METAP2
SCHEMBL13209743 0.73 CYP1A2 (0.47)
SCHEMBL249779 0.73 METAP2 (0.64) METAP2METAP1PDE4APDE4CPDE4D
SCHEMBL2629413 0.73 NQO2 (0.37) HTR1D

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-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 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 (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-20060189604-A1 Compounds ELANE, PIGS, SDHA DRD2 1191/4885DRD3 1143/4885HTR1D 1590/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS DRD2 1328/4885DRD3 943/4885HTR1D 2310/4885

“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.