SCHEMBL22691972

SCHEMBL22691972

COC(=O)c1cc(C)c(NC(C)=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
ALDH1A1 P00352 10/20 0.47
KDM4E B2RXH2 10/20 0.47
GAA P10253 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 7/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL28649961 0.87 MEN1 (0.50) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL11384284 0.86 MEN1 (0.46) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL5413239 0.85 ALDH1A1 (0.49) HTTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL10722281 0.84 MEN1 (0.48) HTTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL14496897 0.83 ALDH1A1 (0.51) HTTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL18239875 0.83 HPGD (0.49) HTTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL130152 0.83 HTT (0.72) HTTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL16371594 0.83 HTT (0.49) HTTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL21003306 0.82 SMN1; SMN2 (0.55) HTTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL372429 0.81 KDM4E (0.63) HTTALDH1A1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2024-01-25 US disclosed
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2024-01-25 US disclosed
EP-4247789-A1 FUNGICIDAL ARYL AMIDINES Corteva Agriscience LLC (US) 2023-09-27 EP disclosed
CN-116529235-A Fungicidal aryl amidines 科迪华农业科技有限责任公司 2023-08-01 CN disclosed
US-20220220068-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-07-14 US disclosed
US-20220220068-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-07-14 US disclosed
WO-2022109362-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed
WO-2022109362-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed
EP-3972414-A1 FUNGICIDAL ARYL AMIDINES Corteva Agriscience LLC (US) 2022-03-30 EP disclosed
CN-113613494-A Fungicidal arylamidines 科迪华农业科技有限责任公司 2021-11-05 CN disclosed
WO-2020237131-A1 FUNGICIDAL ARYL AMIDINES DOW AGROSCIENCES LLC (US) 2020-11-26 WO disclosed
WO-2020237131-A1 FUNGICIDAL ARYL AMIDINES DOW AGROSCIENCES LLC (US) 2020-11-26 WO 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 (2 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-20220220068-A1 FUNGICIDAL ARYL AMIDINES CYP1A1, CYP1A2, CYP1B1 HTT 2636/4885ALDH1A1 105/4885KDM4E 648/4885
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CYP1A1, CYP1A2, CYP1B1 HTT 2636/4885ALDH1A1 105/4885KDM4E 648/4885

“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.