SCHEMBL23059613

SCHEMBL23059613

N#CCCN(C(=O)c1cnccn1)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Br)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BRAF P15056 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
SCHEMBL23059749 0.95 GPBAR1 (0.36) GPBAR1ALDH1A1LMNAGAA
SCHEMBL22520723 0.92 GPBAR1 (0.42) GPBAR1GAANPC1RAB9AALOX15
SCHEMBL23059612 0.91 ALDH1A1 (0.35) GPBAR1ALDH1A1LMNAGAANPC1
SCHEMBL23059614 0.90 ALDH1A1 (0.33) GPBAR1ALDH1A1LMNA
SCHEMBL23059617 0.89 GPBAR1 (0.40) GPBAR1ALDH1A1LMNAGAATSHR
SCHEMBL23059619 0.89 ALDH1A1 (0.36) GPBAR1ALDH1A1LMNAGAA
SCHEMBL23059611 0.88 GPBAR1 (0.40) GPBAR1ALDH1A1LMNA
SCHEMBL23059742 0.87 GPBAR1 (0.36) GPBAR1ALDH1A1LMNA
SCHEMBL23059745 0.86 GRM4 (0.34) GPBAR1ALDH1A1LMNA
SCHEMBL25085494 0.85 GPBAR1 (0.35) GPBAR1ALDH1A1LMNA

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 952/4885ALDH1A1 105/4885LMNA 4164/4885

“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.