SCHEMBL25529223

SCHEMBL25529223

CC(=O)c1c(C)n(CC(F)F)ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 3/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 4/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
UBE2N P61088 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.32
KDM6A O15550 1/20 0.32
KDM4A O75164 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM5C P41229 1/20 0.32

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
SCHEMBL12949574 0.79 KDM4E (0.55) SMN1; SMN2KDM4EHTTTP53CYP2D6
SCHEMBL12949756 0.66 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EHTTTP53CYP2D6
SCHEMBL25110324 0.65
SCHEMBL2610324 0.64 HTR2A (0.48)
SCHEMBL17176479 0.64 HTR3A (0.59) SMN1; SMN2HTTLMNATSHRKMT2A
SCHEMBL9351927 0.64 KDM4E (0.57) SMN1; SMN2KDM4EHTTTP53CYP2D6
SCHEMBL9518157 0.62 KDM4E (0.55) SMN1; SMN2KDM4EHTTTP53CYP2D6
SCHEMBL21756292 0.62 KDM4C (0.39) SMN1; SMN2CYP2D6TSHRKMT2AMEN1
SCHEMBL13555507 0.61 TYR (0.39) LMNAPOLB
SCHEMBL6949699 0.60 KDM4E (0.53) SMN1; SMN2KDM4EHTTTP53CYP2D6

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-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX SMN1; SMN2 1368/4885KDM4E 3309/4885HTT 1724/4885

“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.