SCHEMBL23059686

SCHEMBL23059686

N#CCCCNc1cccc(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 12/20 0.35
RXFP1 Q9HBX9 6/20 0.35
CTSS P25774 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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
SCHEMBL23059601 0.97 PTGES (0.35) PTGESRXFP1CTSS
SCHEMBL22520725 0.95 RXFP1 (0.36) PTGESRXFP1CTSS
SCHEMBL25085551 0.90 PTGES (0.37) PTGESRXFP1CTSS
SCHEMBL23059704 0.90 SMN1; SMN2 (0.36) PTGESRXFP1CTSSPDE3BPDE3A
SCHEMBL23059717 0.89 PTGES (0.38) PTGESRXFP1CTSS
SCHEMBL23059603 0.88 KDM4E (0.39) PTGESRXFP1PDE3BPDE3A
SCHEMBL25085498 0.87 SMN1; SMN2 (0.36) PTGESRXFP1CTSS
SCHEMBL23059687 0.85 DHODH (0.37) PTGESRXFP1
SCHEMBL25085595 0.84 SMN1; SMN2 (0.38) PTGESRXFP1CTSS
SCHEMBL24914488 0.84 RXFP1 (0.39) PTGESRXFP1CTSS

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-20230065544-A1 ISOPHTHALAMINDE COMPOUND AND USE THEREOF Metisa Biotechnology Co., Ltd (CN) 2023-03-02 US disclosed
WO-2021139370-A1 AMIDE COMPOUND AND APPLICATION THEREOF 沈阳化工大学 2021-07-15 WO disclosed
WO-2021036965-A1 ISOPHTHALAMIDE COMPOUND AND USE THEREOF 沈阳化工大学 2021-03-04 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-20230065544-A1 ISOPHTHALAMINDE COMPOUND AND USE THEREOF DDT, INMT, CYP2B6 PTGES 1468/4885RXFP1 4724/4885CTSS 4227/4885

“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.