SCHEMBL4554640

SCHEMBL4554640

CC1(C)OB(c2ccc(-n3cnnn3)nc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 7/20 0.49
DGAT1 O75907 2/20 0.37
LPL P06858 7/20 0.36
LIPG Q9Y5X9 7/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
FFAR1 O14842 1/20 0.33

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
SCHEMBL9964929 0.81 DGAT1 (0.37) DGAT1LPLLIPGIRAK4FFAR1
SCHEMBL12471470 0.80 NOTUM (0.49) KCNJ1LPLLIPG
SCHEMBL31078304 0.78 MAPT (0.40) DGAT1LPLLIPGIRAK4FFAR1
SCHEMBL595299 0.78 MAPT (0.40) DGAT1LPLLIPGIRAK4FFAR1
SCHEMBL13430107 0.77 DGAT1 (0.39) KCNJ1DGAT1LPLLIPGIRAK4
SCHEMBL13430003 0.76 DGAT1 (0.38) DGAT1LPLLIPGIRAK4FFAR1
SCHEMBL860013 0.75 LMNA (0.46) DGAT1LPLLIPGIRAK4FFAR1
SCHEMBL13429918 0.75 IRAK4 (0.39) DGAT1LPLLIPGIRAK4FFAR1
SCHEMBL13429621 0.74 IRAK4 (0.39) DGAT1LPLLIPGIRAK4FFAR1
SCHEMBL1927105 0.74 KDM4E (0.44) DGAT1LPLLIPGIRAK4FFAR1

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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
EP-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 KCNJ1 1196/4885DGAT1 2130/4885LPL 3486/4885

“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.