SCHEMBL30245014

SCHEMBL30245014

COc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(OCCOCCN3CCOCC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HRH3 Q9Y5N1 1/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.42
F2R P25116 2/20 0.42
QPCT Q16769 1/20 0.41
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTT P42858 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL29194642 0.95 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRNPSR1HRH3
SCHEMBL30245660 0.95 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRNPSR1HRH3
SCHEMBL30245367 0.94 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRNPSR1HRH3
SCHEMBL29194478 0.94 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRNPSR1HRH3
SCHEMBL30244928 0.94 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRNPSR1HRH3
SCHEMBL25295907 0.93 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRNPSR1HRH3
SCHEMBL30245019 0.93 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRNPSR1HRH3
SCHEMBL25425681 0.90 QPCT (0.56) ALDH1A1SMN1; SMN2TSHRNPSR1ROCK2
SCHEMBL25428326 0.90 CYP1A2 (0.45) ALDH1A1SMN1; SMN2TSHRNPSR1HRH3
SCHEMBL25427950 0.90 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRNPSR1HRH3

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

“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.