SCHEMBL23059617

SCHEMBL23059617

N#CCCN(C(=O)c1cccnc1)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Br)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.40
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
BRAF P15056 2/20 0.33
MLYCD O95822 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
CSF1R P07333 2/20 0.31
TRPA1 O75762 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL23059747 0.95 GPBAR1 (0.39) GPBAR1RXFP1MEN1TSHRKMT2A
SCHEMBL23059611 0.91 GPBAR1 (0.40) GPBAR1RXFP1TRPV4MLYCDLMNA
SCHEMBL23059715 0.90 RXFP1 (0.37) GPBAR1RXFP1MEN1TSHRKMT2A
SCHEMBL25085494 0.89 GPBAR1 (0.35) GPBAR1MLYCDLMNAALDH1A1
SCHEMBL23059742 0.89 GPBAR1 (0.36) GPBAR1MLYCDLMNAALDH1A1
SCHEMBL23059613 0.89 GPBAR1 (0.36) GPBAR1TSHRBRAFGAALMNA
SCHEMBL17482099 0.88 HTT (0.41) RXFP1MEN1TSHRKMT2ATRPV4
SCHEMBL23059615 0.88 KMT2A (0.35) GPBAR1KMT2AMLYCDLMNAALDH1A1
SCHEMBL23059744 0.86 GPBAR1 (0.39) GPBAR1RXFP1TRPV4MLYCDLMNA
SCHEMBL23053047 0.85 GPBAR1 (0.39) GPBAR1RXFP1MEN1TSHRKMT2A

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 952/4885RXFP1 4724/4885MEN1 3673/4885

“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.