SCHEMBL12377301

SCHEMBL12377301

CC(C)n1c(NC(=O)C(N)c2ccc(-c3ccccc3)cc2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
PDE2A O00408 4/20 0.39
DHODH Q02127 1/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
TTK P33981 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
MAP3K7 O43318 1/20 0.37
IRAK1 P51617 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL12377294 0.86 SLC1A3 (0.45) PPARGDHODHSLC1A3SLC1A2SLC1A1
SCHEMBL12377309 0.86 PRCP (0.43) PPARGDHODHSLC1A3SLC1A2SLC1A1
SCHEMBL12377293 0.84 PRCP (0.38) PDE2ASLC1A3SLC1A2SLC1A1TTK
SCHEMBL12377279 0.78 HSD17B10 (0.55) DHODHHDAC6LMNA
SCHEMBL12413915 0.76 SLC1A3 (0.44) DHODHSLC1A3SLC1A2SLC1A1HDAC6
SCHEMBL12413905 0.76 PRCP (0.42) DHODHSLC1A3SLC1A2SLC1A1IRAK4
SCHEMBL12377324 0.76 MAPT (0.52) LMNA
SCHEMBL5087662 0.73 NPC1 (0.51) IRAK4
SCHEMBL14641727 0.73 SLC1A3 (0.42) DHODHSLC1A3SLC1A2SLC1A1HDAC6
SCHEMBL12377303 0.71 PRCP (0.47) SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 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 (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-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 PPARG 4215/4885PDE2A 2984/4885DHODH 2808/4885

“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.