SCHEMBL23059611

SCHEMBL23059611

N#CCCN(C(=O)c1ccncc1)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 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.40
MLYCD O95822 3/20 0.36
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TRPV4 Q9HBA0 1/20 0.31
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
CSF1R P07333 1/20 0.30
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
DHODH Q02127 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
SCHEMBL23059744 0.95 GPBAR1 (0.39) GPBAR1MLYCDRXFP1ALDH1A1LMNA
SCHEMBL23059617 0.91 GPBAR1 (0.40) GPBAR1MLYCDRXFP1ALDH1A1LMNA
SCHEMBL23059742 0.90 GPBAR1 (0.36) GPBAR1MLYCDALDH1A1LMNA
SCHEMBL25085494 0.88 GPBAR1 (0.35) GPBAR1MLYCDALDH1A1LMNA
SCHEMBL23059613 0.88 GPBAR1 (0.36) GPBAR1ALDH1A1LMNA
SCHEMBL17482148 0.88 MLYCD (0.42) MLYCDRXFP1LMNATRPV4ABL1
SCHEMBL23059612 0.87 ALDH1A1 (0.35) GPBAR1MLYCDALDH1A1LMNATRPV4
SCHEMBL23059615 0.87 KMT2A (0.35) GPBAR1MLYCDALDH1A1LMNA
SCHEMBL23059747 0.86 GPBAR1 (0.39) GPBAR1MLYCDRXFP1ALDH1A1LMNA
SCHEMBL23059619 0.85 ALDH1A1 (0.36) 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 952/4885MLYCD 378/4885RXFP1 4724/4885

“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.