SCHEMBL22018098

SCHEMBL22018098

CNC(=O)c1ccnnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.57
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC2 Q92769 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
PLK1 P53350 6/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM5 P41594 1/20 0.41
HPGDS O60760 2/20 0.41
PLAU P00749 1/20 0.41
PSMD14 O00487 1/20 0.41
STAMBP O95630 1/20 0.41
COPS5 Q92905 1/20 0.41
CA2 P00918 1/20 0.40
MMP13 P45452 1/20 0.39

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
SCHEMBL25060913 0.81 HCAR2 (0.59) HCAR2HDAC8HDAC6HDAC2
SCHEMBL21408728 0.81 RAB9A (0.54) HCAR2HPGDSMN1; SMN2
SCHEMBL21408725 0.79 HCAR2 (0.44) HCAR2MKNK1MKNK2BAZ2BPLK1
SCHEMBL1880894 0.79 KDM4E (0.61) HCAR2HTTCA2
SCHEMBL21431896 0.79 TP53 (0.65) HCAR2HPGDHTTSMN1; SMN2
SCHEMBL6415026 0.79 HCAR2 (0.52) HCAR2HPGDHTTSMN1; SMN2HPGDS
SCHEMBL20753429 0.78 BAZ2B (0.46) HCAR2HDAC8HDAC6HDAC2MKNK1
SCHEMBL22336227 0.77 P4HTM (0.55) HCAR2
SCHEMBL13113096 0.76 HCAR2 (0.48) HCAR2HTTSMN1; SMN2
SCHEMBL2896973 0.76

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
CN-114080155-B Shear stable composition for spray drift control 巴斯夫欧洲公司 2024-03-26 CN disclosed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-20210403435-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-12-30 US disclosed
US-20210403435-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-12-30 US disclosed
CN-113329629-A Herbicidal compounds 先正达农作物保护股份公司 2021-08-31 CN disclosed
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed
CN-105793256-B Imdazole derivatives 豪夫迈·罗氏有限公司 2019-09-10 CN disclosed
CN-109561680-A small molecule modulators of pantothenate kinase 圣朱德儿童研究医院 2019-04-02 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 (1 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-20210403435-A1 HERBICIDAL COMPOUNDS DDT, CYP4X1, CYP1B1 HCAR2 1075/4885HDAC8 1486/4885HDAC6 650/4885

“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.