SCHEMBL26624901

SCHEMBL26624901

CC(C)(C)OC(=O)c1nc(C#N)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NR3C2 P08235 1/20 0.37
GPR119 Q8TDV5 4/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
STAT3 P40763 1/20 0.34
KMT2A Q03164 1/20 0.33
NQO1 P15559 1/20 0.33
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32

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
SCHEMBL29497605 1.00 CNR1 (0.40) CNR1CNR2NR3C2GPR119PDE4A
SCHEMBL239212 0.83 KDM4E (0.45) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL30599569 0.81 ALDH1A1 (0.47) CNR1CNR2LMNAALDH1A1KMT2A
SCHEMBL2210499 0.81 ALDH1A1 (0.47) CNR1CNR2LMNAALDH1A1KMT2A
SCHEMBL26808076 0.81 PDE4B (0.37) CNR1CNR2NR3C2GPR119PDE4A
SCHEMBL14966226 0.79 MAPT (0.48) PDE4AALDH1A1KMT2AL3MBTL1NPSR1
SCHEMBL26624935 0.76 CNR1 (0.40) CNR1CNR2LMNAALDH1A1GABRA1
SCHEMBL25009031 0.75 SOS2 (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL25010840 0.75 MEN1 (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL27460719 0.75 CNR1 (0.39) CNR1CNR2GPR119LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357210-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND HAVING AN OXIME GROUP, AGRICULTURAL OR HORTICULTURAL HERBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE COMPOUND OR THE HERBICIDE NIHON NOHYAKU CO., LTD. (JP) 2023-11-09 US disclosed
US-20230357210-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND HAVING AN OXIME GROUP, AGRICULTURAL OR HORTICULTURAL HERBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE COMPOUND OR THE HERBICIDE NIHON NOHYAKU CO., LTD. (JP) 2023-11-09 US disclosed
CN-116529240-A Nitrogen-containing condensed heterocyclic compound having oxime group, agrohorticultural herbicide containing the same and method of using the same 日本农药株式会社 2023-08-01 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-20230357210-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND HAVING AN OXIME GROUP, AGRICULTURAL OR HORTICULTURAL HERBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE COMPOUND OR THE HERBICIDE DDT, HDHD5, HPD CNR1 1075/4885CNR2 1262/4885NR3C2 596/4885

“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.