SCHEMBL3244708

SCHEMBL3244708

O=COc1ccccc1C(Br)Br

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3634179 0.79 LMNA (0.41) ALDH1A1HPGDLMNAKMT2A
SCHEMBL9881101 0.77 ALDH1A1 (0.42) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL29184332 0.75 P2RX3 (0.37) ALDH1A1HTT
SCHEMBL8611170 0.73 TSHR (0.48) ALDH1A1HTTLMNAKMT2A
SCHEMBL2061866 0.73 CA1 (0.57) ALDH1A1HPGDHTTLMNAKMT2A
SCHEMBL1191551 0.71 GRM4 (0.41) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL22516396 0.71 ALDH1A1 (0.35) ALDH1A1HPGDHTTSMN1; SMN2LMNA
Methylamine SCHEMBL27530092 0.71 TSHR (0.46) ALDH1A1HTTLMNAKMT2A
Cyanide SCHEMBL28986463 0.68 CA1 (0.50) ALDH1A1HTTKMT2A
SCHEMBL8593746 0.68 TSHR (0.46) ALDH1A1HPGDHTTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
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
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 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-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 WO disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL 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 (3 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 661/4885HPGD 2737/4885HTT 2451/4885
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP ALDH1A1 893/4885HPGD 2789/4885HTT 266/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 ALDH1A1 1523/4885HPGD 672/4885HTT 1371/4885

“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.