SCHEMBL25085597

SCHEMBL25085597

N#CCN(C(=O)c1ccc(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 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
GPBAR1 Q8TDU6 2/20 0.33
POLQ O75417 1/20 0.32
PTGES O14684 2/20 0.31
LCK P06239 1/20 0.30
KDR P35968 1/20 0.30
MAPK14 Q16539 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
SCHEMBL23059628 0.93 GPBAR1 (0.34) GPBAR1POLQPTGESLCKKDR
SCHEMBL25085560 0.93 GPBAR1 (0.35) ARGPBAR1PTGES
SCHEMBL25085598 0.92 AR (0.32) ARGPBAR1
SCHEMBL25085569 0.92 AR (0.32) ARGPBAR1
SCHEMBL23059630 0.91 GPBAR1 (0.33) ARGPBAR1POLQPTGES
SCHEMBL23059716 0.91 GPBAR1 (0.32) ARGPBAR1
SCHEMBL23641916 0.90 GPBAR1 (0.38) GPBAR1POLQ
SCHEMBL24914495 0.90 PTGES (0.31) PTGESLCKKDRMAPK14
SCHEMBL23059690 0.89 AR (0.36) ARGPBAR1POLQPTGESLCK
SCHEMBL30266820 0.89 AR (0.36) ARGPBAR1POLQPTGESLCK

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 1 patent. 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

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 AR 2559/4885GPBAR1 952/4885POLQ 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.