SCHEMBL21839919

SCHEMBL21839919

COC(=O)c1cc(Br)c2ccn(CCN3CCOCC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CNR1 P21554 2/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MGLL Q99685 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR2 P34972 2/20 0.42
LMNA P02545 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL30444026 1.00 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20604978 0.84 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30444463 0.81 ALDH1A1 (0.55) SMN1; SMN2CYP2C9CYP2C19CNR1ALDH1A1
SCHEMBL16899416 0.80 NOTUM (0.43) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23137266 0.79 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14927731 0.78 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1CNR2
SCHEMBL15681590 0.78 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23115589 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20536296 0.76 DUT (0.38) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14923438 0.76 HTR7 (0.41) SMN1; SMN2ALDH1A1HPGDHSD17B10CNR2

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 SMN1; SMN2 4859/4885CYP1A2 84/4885CYP2D6 286/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 SMN1; SMN2 4148/4885CYP1A2 203/4885CYP2D6 820/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 SMN1; SMN2 4859/4885CYP1A2 84/4885CYP2D6 286/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 SMN1; SMN2 3677/4885CYP1A2 195/4885CYP2D6 571/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 SMN1; SMN2 4148/4885CYP1A2 203/4885CYP2D6 820/4885

“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.