SCHEMBL23933954

SCHEMBL23933954

O=c1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.58
XPO1 O14980 2/20 0.46
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 2/20 0.45
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
CHEK2 O96017 1/20 0.42
ABL1 P00519 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
CLK2 P49760 1/20 0.42

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
SCHEMBL15256134 0.88 RAPGEF4 (0.51) RAPGEF4XPO1AKR1C3AKR1C2MAPT
SCHEMBL17427531 0.88 RAPGEF4 (0.51) RAPGEF4XPO1AKR1C3AKR1C2MAPT
SCHEMBL15256111 0.87 RAPGEF4 (0.50) RAPGEF4XPO1AKR1C3AKR1C2MAPT
SCHEMBL15256120 0.87 RAPGEF4 (0.50) RAPGEF4XPO1AKR1C3AKR1C2MAPT
SCHEMBL15258515 0.87 RAPGEF4 (0.59) RAPGEF4XPO1AKR1C3AKR1C2MAPT
SCHEMBL17423676 0.85 RAPGEF4 (0.49) RAPGEF4XPO1AKR1C3AKR1C2MAPT
SCHEMBL15256125 0.82 RAPGEF4 (0.50) RAPGEF4XPO1AKR1C3AKR1C2MAPT
SCHEMBL23933952 0.81 RAPGEF4 (0.45) RAPGEF4LMNA
SCHEMBL394467 0.81 RAPGEF4 (0.59) RAPGEF4XPO1AKR1C3AKR1C2MAPT
SCHEMBL25106975 0.80 KIF11 (0.48) RAPGEF4AKR1C3AKR1C2

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-20210324141-A1 METHOD FOR PRODUCING NON-ISOCYANATE POLYURETHANES HENKEL AG & CO. KGAA (DE) 2021-10-21 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-20210324141-A1 METHOD FOR PRODUCING NON-ISOCYANATE POLYURETHANES UROD, IDH3A, SQLE RAPGEF4 3592/4885XPO1 3725/4885AKR1C3 1345/4885

“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.