SCHEMBL5804190

SCHEMBL5804190

NCCOc1cc(N2CCOCC2)ccc1C(=O)Nc1cccnc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.51
IRAK4 Q9NWZ3 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
TRPV4 Q9HBA0 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
Trifluoroacetic Acid SCHEMBL3902354 0.96 F10 (0.47) F10IRAK4ALDH1A1SMN1; SMN2MAPK9
SCHEMBL3156442 0.91 F10 (0.55) F10MAPK9MAPK10
SCHEMBL5805453 0.90 F10 (0.49) F10IRAK4ALDH1A1SMN1; SMN2MAPK9
SCHEMBL3901677 0.90 F10 (0.50) F10IRAK4ALDH1A1SMN1; SMN2TRPV4
SCHEMBL3159578 0.89 F10 (0.55) F10
SCHEMBL8267296 0.88 F10 (0.62) F10
SCHEMBL3160711 0.87 F10 (0.55) F10MAPK9MAPK10
Trifluoroacetic Acid SCHEMBL3902318 0.87 F10 (0.46) F10IRAK4MAPK9MAPK10TRPV4
SCHEMBL8265588 0.86 F10 (0.50) F10MAPK9MAPK10
Trifluoroacetic Acid SCHEMBL3903638 0.86 F10 (0.47) F10TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 US disclosed
EP-1670783-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 WO disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 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-20070027185-A1 Antithrombotic aromatic ethers F2, F11, TFPI F10 14/4885IRAK4 1883/4885ALDH1A1 458/4885

“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.