SCHEMBL30749528

SCHEMBL30749528

COc1cc2c(cnn2-c2ccc(Br)cc2C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MAP4K1 Q92918 8/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.33
BRD1 O95696 1/20 0.33
BRPF1 P55201 1/20 0.33
BRPF3 Q9ULD4 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPK14 Q16539 1/20 0.33
HTR7 P34969 1/20 0.33
MAPK1 P28482 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL27170578 1.00 CYP11B1 (0.38) CYP11B1CYP11B2MAP4K1IRAK4ALDH1A1
SCHEMBL27170740 0.82 MAP4K1 (0.47) CYP11B1CYP11B2MAP4K1ALDH1A1LMNA
SCHEMBL30749607 0.82 MAP4K1 (0.47) CYP11B1CYP11B2MAP4K1ALDH1A1LMNA
SCHEMBL27170629 0.79 MAP4K1 (0.43) MAP4K1IRAK4
SCHEMBL30749658 0.79 MAP4K1 (0.43) MAP4K1IRAK4
SCHEMBL30749615 0.77 ACLY (0.36) CYP11B1CYP11B2MAP4K1IRAK4ALDH1A1
SCHEMBL27170791 0.77 ACLY (0.36) CYP11B1CYP11B2MAP4K1IRAK4ALDH1A1
SCHEMBL29073115 0.75 NR3C1 (0.46) CYP11B1CYP11B2MAP4K1ALDH1A1L3MBTL1
SCHEMBL30749628 0.74 MAP4K1 (0.45) CYP11B1CYP11B2MAP4K1ALDH1A1L3MBTL1
SCHEMBL27170710 0.74 MAP4K1 (0.45) CYP11B1CYP11B2MAP4K1ALDH1A1L3MBTL1

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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 CYP11B1 16/4885CYP11B2 19/4885MAP4K1 3312/4885

“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.