Sugi Predict

Sugi Predict / Compounds / SCHEMBL3860583

SCHEMBL3860583

SCHEMBL3860583

COC(=O)c1cc(Cl)nc(C(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ XDH P47989 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ FUT7 Q11130 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL29867038 0.89 KDM4E (0.52) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL21200349 0.89 KDM4E (0.52) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL28348349 0.87 KDM4E (0.57) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL2261359 0.87 ALDH1A1 (0.46) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL21200611 0.86 KDM4E (0.53) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL569249 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL29890892 0.83 ALDH1A1 (0.57) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL3853608 0.81 KDM4E (0.51) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL14479830 0.80 KDM4E (0.53) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL29371765 0.80 KDM4E (0.53) ALDH1A1KDM4ECA12CA1CA2

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-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 — — US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 — — US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 — — US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 — — US disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — 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 (2 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP ALDH1A1 661/4885KDM4E 453/4885CA12 330/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 ALDH1A1 1523/4885KDM4E 1975/4885CA12 2516/4885

“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.