SCHEMBL23059629

SCHEMBL23059629

N#CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1cccc(C(=O)Nc2c(Br)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 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.34
P2RX7 Q99572 6/20 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

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
SCHEMBL23059689 0.96 GPBAR1 (0.36) GPBAR1P2RX7AURKAAURKB
SCHEMBL23059630 0.93 GPBAR1 (0.33) GPBAR1POLQPTGES
SCHEMBL23059746 0.93 GPBAR1 (0.36) GPBAR1P2RX7
SCHEMBL25085582 0.92 GPBAR1 (0.32) GPBAR1
SCHEMBL23059628 0.91 GPBAR1 (0.34) GPBAR1P2RX7POLQPTGESAURKA
SCHEMBL23716778 0.89 POLQ (0.38) GPBAR1POLQPTGES
SCHEMBL23059714 0.88 GPBAR1 (0.34) GPBAR1P2RX7
SCHEMBL23053044 0.88 P2RX7 (0.37) GPBAR1P2RX7
SCHEMBL23059625 0.87 GPBAR1 (0.36) GPBAR1P2RX7POLQ
SCHEMBL29161191 0.87 P2RX7 (0.33) P2RX7PTGESAURKAAURKB

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.