SCHEMBL31365367

SCHEMBL31365367

COC(=O)c1nc(-c2cccc(Br)c2)n(C)c(=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.43
ERCC1 P07992 2/20 0.43
FEN1 P39748 2/20 0.43
ERCC4 Q92889 2/20 0.43
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
PTGS2 P35354 1/20 0.39
COMT P21964 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RNASEH1 O60930 1/20 0.38

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
SCHEMBL22078880 1.00 ELANE (0.43) ELANEERCC1FEN1ERCC4TSHR
SCHEMBL22078875 0.86 GABRA2 (0.46) ERCC1FEN1ERCC4NPSR1MAPT
SCHEMBL22078872 0.86 ERCC1 (0.56) ERCC1FEN1ERCC4MAPTADORA2A
SCHEMBL22078792 0.84 ADORA2A (0.38) ELANEERCC1FEN1ERCC4ADORA2A
SCHEMBL14173477 0.81 ADORA2A (0.48) ERCC1FEN1ERCC4NPSR1MAPT
SCHEMBL22079304 0.79 ERCC1 (0.41) ERCC1FEN1ERCC4TSHRMAPT
SCHEMBL31365376 0.78 ERCC1 (0.43) ERCC1FEN1ERCC4TSHRMAPT
SCHEMBL22078879 0.78 ERCC1 (0.43) ERCC1FEN1ERCC4TSHRMAPT
SCHEMBL22079746 0.77 KMT2A (0.36) ERCC1FEN1ERCC4MAPTCOMT
SCHEMBL31365365 0.77 KMT2A (0.36) ERCC1FEN1ERCC4MAPTCOMT

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-20250136588-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2025-05-01 US disclosed
US-12172990-B2 Modulators of TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2024-12-24 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 (2 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-20250136588-A1 MODULATORS OF TREX1 TSNAX, TEAD1, TMX1 ELANE 1083/4885ERCC1 1861/4885FEN1 307/4885
US-12172990-B2 Modulators of TREX1 CFTR, SLC10A1, CYP27A1 ELANE 958/4885ERCC1 521/4885FEN1 576/4885

“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.