SCHEMBL22005651

SCHEMBL22005651

Cc1nc(C(=O)OCc2ccccc2)n(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 4/20 0.53
TDP1 Q9NUW8 6/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 2/20 0.47
RAB9A P51151 1/20 0.47
JMJD6 Q6NYC1 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAOB P27338 2/20 0.46
ADORA2A P29274 2/20 0.46
PDE1C Q14123 1/20 0.45
HPGD P15428 1/20 0.44
ELANE P08246 1/20 0.44
NPY1R P25929 1/20 0.44

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
SCHEMBL20154227 0.85 TDP1 (0.50) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL20154215 0.85 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL22920673 0.79 TDP1 (0.57) ALDH1A1KMT2ATDP1MAPTLMNA
SCHEMBL21037483 0.78 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL20154164 0.78 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL20654844 0.77 TDP1 (0.50) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL16382562 0.77 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL14822692 0.77 TDP1 (0.50) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL22005632 0.75 TDP1 (0.53) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL21290242 0.75 TDP1 (0.49) ALDH1A1KMT2ATDP1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 US disclosed
US-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 US disclosed
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL CORPORATION (JP) 2020-12-29 US disclosed
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2020-05-21 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 (3 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-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE HDAC7, ACHE, BRDT ALDH1A1 865/4885KMT2A 342/4885TDP1 3193/4885
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide C3AR1, C5, C9 ALDH1A1 3404/4885KMT2A 2752/4885TDP1 4037/4885
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C3AR1, C5, C9 ALDH1A1 3404/4885KMT2A 2752/4885TDP1 4037/4885

“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.