SCHEMBL25751178

SCHEMBL25751178

N#Cc1nn(-c2ccc(S)cc2)c2cccc(CO)c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 2/20 0.35
PDE5A O76074 1/20 0.33
ELANE P08246 2/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
CTRB1 P17538 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL30424311 0.84 BCAT1 (0.33) BCAT1PDE5AELANEF2PLAU
SCHEMBL25205878 0.84 BCAT1 (0.33) BCAT1PDE5AELANEF2PLAU
SCHEMBL30424181 0.81 TEAD1 (0.45) SCN9A
SCHEMBL25230361 0.81 TEAD1 (0.45) SCN9A
SCHEMBL25751171 0.80 PDE5A (0.35) PDE5ASCN9A
SCHEMBL25751193 0.68
SCHEMBL25747946 0.67 KMT2A (0.37) PDE5A
SCHEMBL30423991 0.65 PDE5A (0.34) PDE5ASCN9A
SCHEMBL25230337 0.65 PDE5A (0.34) PDE5ASCN9A
SCHEMBL30201876 0.64 BCAT1 (0.66) BCAT1PDE5AELANEF2PLAU

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 BCAT1 2924/4885PDE5A 1909/4885ELANE 106/4885

“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.