SCHEMBL21839944

SCHEMBL21839944

COC(=O)c1cc(Br)c2ccn(CC(C)(C)O[Si](C)(C)C(C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
APOBEC3A P31941 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NOTUM Q6P988 1/20 0.35
GAA P10253 2/20 0.35
MAP3K5 Q99683 2/20 0.34
RHEB Q15382 1/20 0.34
HIF1A Q16665 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL30444724 1.00 MAPK10 (0.36) MAPK10SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL20536296 0.83 DUT (0.38) MAPK10SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL16899416 0.78 NOTUM (0.43) MAPK10SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL20605036 0.74 NPC1 (0.38) MAPK10SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL31300570 0.74 NPC1 (0.38) MAPK10SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL21840015 0.74 KDM4E (0.40) MAPK10SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL30444519 0.74 KDM4E (0.40) MAPK10SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL21839856 0.73 MAPK10 (0.63) MAPK10KDM4EALDH1A1USP2GAA
SCHEMBL30444407 0.73 MAPK10 (0.63) MAPK10KDM4EALDH1A1USP2GAA
SCHEMBL21839919 0.72 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HPGDHSD17B10CYP1A2

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 7 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
CN-110678450-A Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2020-01-10 CN 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 MAPK10 4060/4885SMN1; SMN2 4859/4885KDM4E 3805/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 MAPK10 4021/4885SMN1; SMN2 4148/4885KDM4E 3573/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 MAPK10 4060/4885SMN1; SMN2 4859/4885KDM4E 3805/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 MAPK10 4257/4885SMN1; SMN2 3677/4885KDM4E 4485/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 MAPK10 4021/4885SMN1; SMN2 4148/4885KDM4E 3573/4885

“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.