SCHEMBL25085560

SCHEMBL25085560

N#CCCN(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 4)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.35
AR P10275 1/20 0.33
MLYCD O95822 1/20 0.32
PTGES O14684 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
SCHEMBL25085569 0.96 AR (0.32) GPBAR1AR
SCHEMBL25085598 0.96 AR (0.32) GPBAR1AR
SCHEMBL25085597 0.93 AR (0.35) GPBAR1ARPTGES
SCHEMBL23059685 0.91 GPBAR1 (0.35) GPBAR1ARMLYCDPTGES
SCHEMBL25085565 0.91 GPBAR1 (0.33) GPBAR1MLYCD
SCHEMBL23059713 0.90 GPBAR1 (0.32) GPBAR1
SCHEMBL24914495 0.88 PTGES (0.31) PTGES
SCHEMBL25085494 0.88 GPBAR1 (0.35) GPBAR1MLYCD
SCHEMBL25085499 0.87 GPBAR1 (0.31) GPBAR1AR
SCHEMBL23059700 0.87

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 GPBAR1 952/4885AR 2559/4885MLYCD 378/4885

“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.