SCHEMBL25259732

SCHEMBL25259732

COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CN2CCN(CC(=O)N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.54
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
SIGMAR1 Q99720 3/20 0.49
DRD2 P14416 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL29234150 0.92 USP2 (0.49) TSPOALDH1A1KDM4ELMNAUSP2
SCHEMBL25299417 0.89 POLB (0.49) TSPOALDH1A1KDM4ELMNAUSP2
SCHEMBL29234154 0.88 TSHR (0.46) TSPOALDH1A1KDM4ELMNAUSP2
SCHEMBL25260100 0.86 TSPO (0.46) TSPOALDH1A1KDM4ELMNAUSP2
SCHEMBL29234160 0.86 GAA (0.46) TSPOALDH1A1KDM4ELMNAUSP2
SCHEMBL29234153 0.86 HTR2A (0.54) TSPOALDH1A1SMN1; SMN2HTTSIGMAR1
SCHEMBL25263528 0.84 MMP9 (0.50) TSPOALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL30945868 0.82 HSD17B10 (0.50) TSPOALDH1A1KDM4ELMNAUSP2
SCHEMBL30945864 0.81 SLC2A1 (0.46) TSPOALDH1A1KDM4ELMNATSHR
SCHEMBL25261076 0.81 SLC2A1 (0.46) TSPOALDH1A1KDM4ELMNATSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099423-A1 PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 TEXAS HEART INSTITUTE (US) 2025-03-27 US claimed
CN-117980302-A Piperazine-based agonists of LFA-1 and VLA-4 德克萨斯心脏研究所 2024-05-03 CN claimed
WO-2023018471-A9 PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 TEXAS HEART INSTITUTE (US) 2023-07-13 WO claimed
US-20250099423-A1 PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 TEXAS HEART INSTITUTE (US) 2025-03-27 US disclosed
CN-117980302-A Piperazine-based agonists of LFA-1 and VLA-4 德克萨斯心脏研究所 2024-05-03 CN 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-20250099423-A1 PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 ITGA4, VCAM1, ITGB4 TSPO 984/4885ALDH1A1 339/4885KDM4E 2155/4885

“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.