SCHEMBL24969726

SCHEMBL24969726

CC(C)(C)OC(=O)NCCc1cccc(C#Cc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.46
KIT P10721 2/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
DRD2 P14416 1/20 0.39
ACHE P22303 1/20 0.39
TRPA1 O75762 1/20 0.39
ADK P55263 1/20 0.39
MAPK8 P45983 1/20 0.39
TLR9 Q9NR96 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
AKT1 P31749 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL31142973 0.91 P2RY12 (0.46) P2RY12KITNR1H2NR1H3MEN1
SCHEMBL31142967 0.86 KIT (0.46) P2RY12KITNR1H2NR1H3MEN1
SCHEMBL24969725 0.86 KIT (0.46) P2RY12KITNR1H2NR1H3MEN1
SCHEMBL31143040 0.84 MEN1 (0.44) P2RY12KITNR1H2NR1H3MEN1
SCHEMBL31143082 0.83 MEN1 (0.46) KITNR1H2NR1H3MEN1KMT2A
SCHEMBL31143001 0.82 MEN1 (0.43) KITNR1H2NR1H3MEN1KMT2A
SCHEMBL19212401 0.79 P2RY12 (0.54) P2RY12KITMEN1KMT2AACHE
SCHEMBL24969739 0.78 SMN1; SMN2 (0.48) P2RY12MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31142906 0.78 P2RY12 (0.55) P2RY12
SCHEMBL31142916 0.78 P2RY12 (0.51) P2RY12MEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 US disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B P2RY12 1201/4885KIT 3719/4885NR1H2 4596/4885

“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.