SCHEMBL30245293

SCHEMBL30245293

COc1cccc(CN(Cc2cccc(OC)c2)c2cccc(CN3CCCCC3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HRH3 Q9Y5N1 1/20 0.54
CASP1 P29466 1/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
F2R P25116 1/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
QPCT Q16769 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2B P41595 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
SCHEMBL25292161 0.95 SIGMAR1 (0.54) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL30245440 0.95 SIGMAR1 (0.54) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL30245062 0.92 MAPT (0.55) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL25292330 0.92 MAPT (0.55) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL30245820 0.91 SIGMAR1 (0.50) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL25253539 0.91 SIGMAR1 (0.50) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL25261366 0.90 SIGMAR1 (0.59) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL30245758 0.90 SIGMAR1 (0.63) SIGMAR1ALDH1A1KDM4ECASP1CASP4
SCHEMBL30439022 0.90 SIGMAR1 (0.59) SIGMAR1ALDH1A1KDM4EHRH3CASP1
SCHEMBL25295266 0.89 MAPT (0.54) SIGMAR1ALDH1A1KDM4EHRH3CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2024-10-31 US claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 WO claimed
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2024-10-31 US disclosed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 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-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS ITGB3, ITGA2, ITGAV SIGMAR1 379/4885ALDH1A1 1217/4885KDM4E 3592/4885

“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.