SCHEMBL8266905

SCHEMBL8266905

CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccccn2)c(OC2CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.49
▸ IRAK1 P51617 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KCNMA1 Q12791 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ F10 P00742 6/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GRM5 P41594 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ HSP90AB1 P08238 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
Hydrochloric Acid SCHEMBL3166356 0.99 IRAK4 (0.49) IRAK4IRAK1KDM4EGAAHPGD
Trifluoroacetic Acid SCHEMBL3158117 0.95 IRAK4 (0.45) IRAK4IRAK1KDM4EGAAHPGD
SCHEMBL13403765 0.90 F10 (0.53) F10
Hydrochloric Acid SCHEMBL3161264 0.89 F10 (0.52) F10
SCHEMBL8265959 0.88 F10 (0.51) IRAK4IRAK1F10
SCHEMBL8266364 0.87 F10 (0.51) IRAK4IRAK1F10
Hydrochloric Acid SCHEMBL3156390 0.87 F10 (0.50) IRAK4IRAK1F10
SCHEMBL3160888 0.87 F10 (0.51) IRAK4F10
SCHEMBL3156215 0.86 KDM4E (0.45) KDM4EGAAHPGDALOX15TSHR
SCHEMBL8265073 0.85 F10 (0.50) IRAK4IRAK1KDM4EF10NPC1

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-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 — — US disclosed
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 — — US disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 — — US disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 — — US disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 — — 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-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 IRAK4 2856/4885IRAK1 1124/4885KDM4E 1557/4885

“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.

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