SCHEMBL25747827

SCHEMBL25747827

COc1ccc(-n2nc(CNC(=O)OC(C)(C)C)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.46
▸ TEAD1 P28347 1/20 0.46
▸ TEAD4 Q15561 1/20 0.46
▸ TEAD2 Q15562 1/20 0.46
▸ TEAD3 Q99594 1/20 0.46
▸ TP53 P04637 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ GFER P55789 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ DYRK1A Q13627 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ BRD4 O60885 1/20 0.43

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
SCHEMBL25247529 0.89 TEAD1 (0.60) ABCB1TEAD1TEAD4TEAD2TEAD3
SCHEMBL30469093 0.86 TEAD1 (0.45) TEAD1TEAD4TEAD2TEAD3HDAC10
SCHEMBL25679235 0.86 TEAD1 (0.45) TEAD1TEAD4TEAD2TEAD3HDAC10
SCHEMBL30424238 0.85 TEAD1 (0.42) TEAD1TEAD4TEAD2TEAD3L3MBTL1
SCHEMBL25243401 0.85 TEAD1 (0.42) TEAD1TEAD4TEAD2TEAD3L3MBTL1
SCHEMBL25747828 0.83 ABCB1 (0.46) ABCB1TEAD1TEAD4TEAD2TEAD3
SCHEMBL30469144 0.77 SCN9A (0.48) SCN9A
SCHEMBL25678072 0.77 SCN9A (0.48) SCN9A
SCHEMBL7652554 0.77 NPC1 (0.58) L3MBTL1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL25749012 0.76 TEAD1 (0.63) ABCB1TEAD1TEAD4TEAD2TEAD3

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-20230202984-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 — — 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-20230202984-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 ABCB1 178/4885TEAD1 282/4885TEAD4 162/4885

“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.

Send feedback