SCHEMBL20201211

SCHEMBL20201211

Cc1ncncc1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 4/20 0.51
TSHR P16473 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
MEN1 O00255 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
SCHEMBL24729209 0.83 L3MBTL1 (0.52) ALDH1A1TDP1TSHRL3MBTL1RAB9A
SCHEMBL28010754 0.83 ALDH1A1 (0.53) ALDH1A1TDP1TSHRL3MBTL1RAB9A
SCHEMBL20201202 0.80 RAB9A (0.57) ALDH1A1TDP1TSHRL3MBTL1RAB9A
SCHEMBL22005558 0.80 TDP1 (0.50) ALDH1A1TDP1TSHRL3MBTL1RAB9A
SCHEMBL1669584 0.80 TSHR (0.48) ALDH1A1TSHRL3MBTL1RAB9AKMT2A
SCHEMBL29906642 0.80 TSHR (0.48) ALDH1A1TSHRL3MBTL1RAB9AKMT2A
SCHEMBL24729067 0.80 ALDH1A1 (0.49) ALDH1A1TDP1TSHRL3MBTL1RAB9A
SCHEMBL6266108 0.79 POLB (0.69) ALDH1A1TDP1TSHRL3MBTL1RAB9A
SCHEMBL25541334 0.79 TDP1 (0.54) ALDH1A1TDP1TSHRL3MBTL1RAB9A
SCHEMBL8124275 0.78 TDP1 (0.58) ALDH1A1TDP1TSHRL3MBTL1RAB9A

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 8 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-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 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
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 US disclosed
CN-101001851-B Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC 2011-04-20 CN disclosed
CN-101001851-A Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC (JP) 2007-07-18 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-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE HDAC7, ACHE, BRDT ALDH1A1 865/4885TDP1 3193/4885TSHR 1506/4885
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide C3AR1, C5, C9 ALDH1A1 3404/4885TDP1 4037/4885TSHR 251/4885
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 ALDH1A1 495/4885TDP1 2574/4885TSHR 2772/4885
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C3AR1, C5, C9 ALDH1A1 3404/4885TDP1 4037/4885TSHR 251/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 ALDH1A1 495/4885TDP1 2574/4885TSHR 2772/4885

“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.