SCHEMBL23059628

SCHEMBL23059628

N#CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1cccc(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.34
P2RX7 Q99572 5/20 0.34
POLQ O75417 1/20 0.32
PTGES O14684 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
LCK P06239 1/20 0.30
KDR P35968 1/20 0.30
MAPK14 Q16539 1/20 0.30
BRAF P15056 1/20 0.30
KCNJ11 Q14654 1/20 0.30

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
SCHEMBL25085597 0.93 AR (0.35) GPBAR1POLQPTGESLCKKDR
SCHEMBL24914865 0.93 P2RX7 (0.33) P2RX7POLQPTGESAURKAAURKB
SCHEMBL23059713 0.92 GPBAR1 (0.32) GPBAR1P2RX7KCNJ11
SCHEMBL23059629 0.91 GPBAR1 (0.34) GPBAR1P2RX7POLQPTGESAURKA
SCHEMBL24914632 0.90 PTGES (0.30) PTGESAURKAAURKBLCKKDR
SCHEMBL23641916 0.89 GPBAR1 (0.38) GPBAR1POLQBRAFKCNJ11
SCHEMBL23059625 0.89 GPBAR1 (0.36) GPBAR1P2RX7POLQLCKKDR
SCHEMBL23059689 0.88 GPBAR1 (0.36) GPBAR1P2RX7AURKAAURKBBRAF
SCHEMBL23053046 0.88 P2RX7 (0.37) GPBAR1P2RX7
SCHEMBL20846770 0.86 GPBAR1 (0.34) GPBAR1PTGESAURKAAURKBLCK

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 2 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-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 GPBAR1 952/4885P2RX7 1519/4885POLQ 4824/4885

“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.