SCHEMBL21839956

SCHEMBL21839956

CCc1nc2c(C(=O)OC)cc(Br)cc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 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
SCHEMBL21840025 0.89 NOTUM (0.40) NOTUMNPC1RAB9AKMT2AALDH1A1
SCHEMBL15808840 0.84 GAA (0.43) KMT2AALDH1A1HSD17B10MAPTMAPK1
SCHEMBL21839907 0.81 KDM4E (0.40) NOTUMNPC1RAB9AKMT2AALDH1A1
SCHEMBL21840008 0.80 ESR2 (0.44) NPC1RAB9AKMT2AALDH1A1HSD17B10
SCHEMBL7721972 0.79 TOP2A (0.55) NPC1RAB9AKMT2AALDH1A1HSD17B10
SCHEMBL21840027 0.78 NPC1 (0.44) NOTUMNPC1RAB9AKMT2AALDH1A1
SCHEMBL3032061 0.75 TOP2A (0.63) NPC1RAB9AALDH1A1HSD17B10MAPT
SCHEMBL17035400 0.73 MAOB (0.45) ALDH1A1HSD17B10MAPTMAPK1GAA
SCHEMBL15808878 0.71 PTGES (0.69) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL24337872 0.70 TAS1R3 (0.62) NPC1RAB9AALDH1A1HSD17B10MAPT

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 NOTUM 2096/4885NPC1 249/4885RAB9A 3965/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 NOTUM 1902/4885NPC1 292/4885RAB9A 3996/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 NOTUM 2096/4885NPC1 249/4885RAB9A 3965/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 NOTUM 1802/4885NPC1 192/4885RAB9A 3130/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 NOTUM 1902/4885NPC1 292/4885RAB9A 3996/4885

“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.