SCHEMBL25751170

SCHEMBL25751170

COC(=O)c1cccc2c1c(Br)nn2-c1ccc(S)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
CYP11B2 P19099 1/20 0.36
CCR1 P32246 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
NR4A2 P43354 2/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RARG P13631 1/20 0.34
RORC P51449 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL25747945 0.89 L3MBTL1 (0.40) TDP1L3MBTL1KMT2AHTTNR4A2
SCHEMBL25226030 0.85 CCR1 (0.36) TDP1L3MBTL1KMT2AHTTCYP11B2
SCHEMBL30424138 0.84 MAPT (0.45) L3MBTL1MAPTALDH1A1
SCHEMBL25208325 0.84 MAPT (0.45) L3MBTL1MAPTALDH1A1
SCHEMBL20604795 0.78 CYP1A2 (0.45) KMT2APTGDR2NR4A2MAPTALDH1A1
SCHEMBL25751171 0.73 PDE5A (0.35) RARGRORC
SCHEMBL702834 0.71 CCR1 (0.45) L3MBTL1KMT2ACCR1MAPTALDH1A1
SCHEMBL27832046 0.70 CCR1 (0.43) L3MBTL1KMT2ACCR1MAPTALDH1A1
SCHEMBL1395071 0.69 TDP1 (0.43) TDP1L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL20604857 0.66 NR4A2 (0.56) KMT2ANR4A2MAPTALDH1A1LMNA

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 TDP1 343/4885L3MBTL1 2056/4885KMT2A 2982/4885

“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.