SCHEMBL30729945

SCHEMBL30729945

CC(C)(C)OC(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.58
ERBB2 P04626 12/20 0.58
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
ERBB4 Q15303 2/20 0.53
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
GAK O14976 1/20 0.50

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
SCHEMBL18814826 1.00 EGFR (0.58) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL18815028 0.87 ACP1 (0.47) EGFRERBB2
SCHEMBL18788863 0.84 EGFR (0.61) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL31703470 0.83 MAOB (0.58)
SCHEMBL3506678 0.82 EGFR (0.59) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL22967644 0.81 EGFR (0.62) EGFRERBB2ERBB4GAK
SCHEMBL24968809 0.81 EGFR (0.75) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL3505411 0.81 EGFR (0.62) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL9975357 0.79 EGFR (0.65) EGFRERBB2ERBB4GAK
SCHEMBL16800815 0.79 EGFR (0.63) EGFRERBB2ERBB4GAK

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-20240059698-A1 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY INC. (US) 2024-02-22 US disclosed
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 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-20240059698-A1 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885HDAC3 3551/4885

“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.