SCHEMBL9989680

SCHEMBL9989680

CC(C)(NC(=O)c1ccnc(F)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
LMNA P02545 4/20 0.43
BRAF P15056 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
FOLH1 Q04609 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
AR P10275 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL13701752 0.86 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2LMNABRAF
SCHEMBL13702396 0.77 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2BRAFSMN1; SMN2
SCHEMBL31082091 0.77 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2BRAFSMN1; SMN2
SCHEMBL15962773 0.75 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2LMNABRAF
SCHEMBL28443247 0.75 NPC1 (0.58) LMNAMRGPRX4SMN1; SMN2HTTNPC1
SCHEMBL2997667 0.74 KDM4E (0.55) TAS1R3TAS1R1TAS1R2LMNABRAF
SCHEMBL1742088 0.74 EGLN1 (0.50) EGLN1EGLN3NPC1RAB9AMEN1
SCHEMBL13875969 0.74 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2EGLN1EGLN3
SCHEMBL13702150 0.73 FDPS (0.57) TAS1R3TAS1R1TAS1R2LMNABRAF
SCHEMBL13702293 0.73 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2LMNABRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-12-29 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-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES DGAT1, DGAT2, GRIN1 TAS1R3 2146/4885TAS1R1 1196/4885TAS1R2 1331/4885

“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.