SCHEMBL25337174

SCHEMBL25337174

O=C(O)c1cnc(Cl)c(F)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ASPH Q12797 3/20 0.38
KDM8 Q8N371 2/20 0.38
NAPRT Q6XQN6 2/20 0.35
HAVCR2 Q8TDQ0 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 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
SCHEMBL18398775 0.82 KEAP1 (0.46) KEAP1NFE2L2LMNASMN1; SMN2KDM4E
SCHEMBL391794 0.81 KEAP1 (0.44) KEAP1NFE2L2LMNASMN1; SMN2KDM4E
SCHEMBL29418647 0.81 KEAP1 (0.44) KEAP1NFE2L2LMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL27140039 0.79 KEAP1 (0.43) KEAP1NFE2L2LMNASMN1; SMN2KDM4E
Methoxymethane SCHEMBL25337731 0.78 NNMT (0.40)
SCHEMBL30064870 0.78 HAVCR2 (0.47) KEAP1NFE2L2LMNASMN1; SMN2KDM4E
SCHEMBL25351383 0.78 KEAP1 (0.42) KEAP1NFE2L2LMNASMN1; SMN2KDM4E
SCHEMBL22208176 0.78 HAVCR2 (0.47) KEAP1NFE2L2LMNASMN1; SMN2KDM4E
SCHEMBL1427391 0.78 LMNA (0.39) KEAP1NFE2L2LMNASMN1; SMN2KDM4E
SCHEMBL27185426 0.78 KEAP1 (0.42) KEAP1NFE2L2LMNASMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083861-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 US disclosed
EP-4221703-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 EP disclosed
WO-2022072517-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 WO 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-20240083861-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 KEAP1 1040/4885NFE2L2 1899/4885LMNA 1218/4885

“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.