SCHEMBL21839907

SCHEMBL21839907

COC(=O)c1cc(Br)cc2oc(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 3/20 0.37
TOP2A P11388 2/20 0.37
ATM Q13315 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL31322820 0.84 RAB9A (0.40) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL15808786 0.83 HSD17B10 (0.44) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL21839956 0.81 NOTUM (0.41) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL21840027 0.81 NPC1 (0.44) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL20844712 0.81 KDM4E (0.42) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL21840025 0.79 NOTUM (0.40) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL3032061 0.78 TOP2A (0.63) KDM4ERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL21839917 0.78 ESR2 (0.47) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL1398896 0.77 TOP2A (0.59) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL20898134 0.76 KDM4E (0.50) KDM4ERAB9ANPC1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 US disclosed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 US disclosed
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN disclosed
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2021-06-24 US disclosed
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-27 US disclosed
US-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2020-04-16 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 (5 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-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 KDM4E 3805/4885RAB9A 3965/4885NPC1 249/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 KDM4E 3573/4885RAB9A 3996/4885NPC1 292/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 KDM4E 3805/4885RAB9A 3965/4885NPC1 249/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 KDM4E 4485/4885RAB9A 3130/4885NPC1 192/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 KDM4E 3573/4885RAB9A 3996/4885NPC1 292/4885

“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.