SCHEMBL966670

SCHEMBL966670

C=CCOC/C(=N\O)c1cc(Br)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL932912 1.00 ALDH1A1 (0.40) ALDH1A1HPGDLMNAMAPK1KDM4E
SCHEMBL18192899 0.82 ALDH1A1 (0.32) ALDH1A1HPGDLMNA
SCHEMBL18192898 0.82 ALDH1A1 (0.32) ALDH1A1HPGDLMNA
SCHEMBL933447 0.81 DGAT1 (0.37) ALDH1A1HPGDLMNAKDM4EHSD17B10
SCHEMBL18192867 0.78 ALDH1A1 (0.32) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL18192868 0.78 ALDH1A1 (0.32) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL20284082 0.76
SCHEMBL18498600 0.75 CES2 (0.38) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL18498601 0.75 CES2 (0.38) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL18192832 0.75 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1KDM4EGAA

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
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP ALDH1A1 939/4885HPGD 2727/4885LMNA 1737/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP ALDH1A1 939/4885HPGD 2727/4885LMNA 1737/4885

“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.