Sugi Predict

Sugi Predict / Compounds / SCHEMBL24397667

SCHEMBL24397667

SCHEMBL24397667

Cn1c(-c2cc(I)ccc2F)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 5/20 0.46
▸ PDE10A Q9Y233 3/20 0.46
▸ AGPAT2 O15120 1/20 0.44
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL29497618 1.00 PDE2A (0.46) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL10281012 0.83 HSD11B1 (0.52) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL167106 0.78 PDE10A (0.46) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL18498677 0.77 PDE2A (0.42) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL15426497 0.77 HSD11B1 (0.49) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL29497630 0.77 CYP1A2 (0.39) AGPAT2PIK3CAPIK3CBPIK3CGMEN1
SCHEMBL24397668 0.77 CYP1A2 (0.39) AGPAT2PIK3CAPIK3CBPIK3CGMEN1
SCHEMBL355769 0.76 PDE2A (0.44) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL356013 0.73 PDE10A (0.58) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL8058929 0.73 KDM4E (0.50) PDE2APDE10APIK3CAPIK3CBPIK3CG

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 4 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
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 PDE2A 623/4885PDE10A 759/4885AGPAT2 625/4885

“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.