SCHEMBL30245367

SCHEMBL30245367

COc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(OCCN3CCOCC3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LTA4H P09960 2/20 0.45
ABCB1 P08183 3/20 0.44
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 2/20 0.44
QPCT Q16769 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
F2R P25116 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL29194576 0.95 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H
SCHEMBL30245607 0.95 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H
SCHEMBL30245014 0.94 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H
SCHEMBL30245039 0.94 ABCB1 (0.45) ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H
SCHEMBL29194494 0.94 ABCB1 (0.45) ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H
SCHEMBL25259723 0.92 LTA4H (0.43) ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H
SCHEMBL30245867 0.92 LTA4H (0.43) ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H
SCHEMBL30245660 0.90 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H
SCHEMBL29194642 0.90 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H
SCHEMBL25424538 0.89 CYP1A2 (0.49) ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H

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 ALDH1A1 1217/4885TSHR 368/4885SMN1; SMN2 2472/4885

“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.