SCHEMBL24397668

SCHEMBL24397668

Cn1c(-c2cc(I)ccc2SCc2ccc(C(C)(C)C)cc2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
AGPAT2 O15120 1/20 0.38
CNR2 P34972 6/20 0.35
EGFR P00533 1/20 0.34
MET P08581 1/20 0.34
CNR1 P21554 1/20 0.34
GRM2 Q14416 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
GPR183 P32249 1/20 0.33
RAB9A P51151 1/20 0.33
GPR35 Q9HC97 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL29497630 1.00 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9SCN5ASCN9A
SCHEMBL24397676 0.86 SCN5A (0.38) CYP1A2CYP3A4CYP2C9SCN5ASCN9A
SCHEMBL30547367 0.83 JAK2 (0.37) CYP1A2CYP3A4CYP2C9SCN5ASCN9A
SCHEMBL26624943 0.83 JAK2 (0.37) CYP1A2CYP3A4CYP2C9SCN5ASCN9A
SCHEMBL24397661 0.83 JAK2 (0.37) CYP1A2CYP3A4CYP2C9SCN5ASCN9A
SCHEMBL24397673 0.80 F2 (0.38) CYP1A2CYP3A4CYP2C9SCN5ASCN9A
SCHEMBL30547376 0.80 F2 (0.38) CYP1A2CYP3A4CYP2C9SCN5ASCN9A
SCHEMBL26624927 0.80 F2 (0.38) CYP1A2CYP3A4CYP2C9SCN5ASCN9A
SCHEMBL24397667 0.77 PDE2A (0.46) CYP1A2CYP3A4AGPAT2GRM2MEN1
SCHEMBL29497618 0.77 PDE2A (0.46) CYP1A2CYP3A4AGPAT2GRM2MEN1

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 5 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
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
WO-2022092180-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND HAVING OXIME GROUP, AGRICULTURAL/HORTICULTURAL HERBICIDE CONTAINING SAID COMPOUND, AND USE THEREOF 日本農薬株式会社 2022-05-05 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 (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 CYP1A2 751/4885CYP3A4 1755/4885CYP2C9 469/4885

“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.