SCHEMBL17748895

SCHEMBL17748895

CC(C)(C)[Si](C)(C)OCCC1(c2ccccc2)CCc2ccc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.33
APP P05067 2/20 0.33
KDM1A O60341 2/20 0.33
TOP2A P11388 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM1B Q8NB78 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL17748882 0.76 KDM1A (0.40) BACE1APPKDM1AMAOAMAOB
SCHEMBL28593246 0.76 KDM1A (0.40) BACE1APPKDM1AMAOAMAOB
SCHEMBL5709473 0.71 BCHE (0.32) KDM1A
SCHEMBL5709368 0.70 BCHE (0.40) KDM1A
SCHEMBL5709370 0.70 SLC6A4 (0.40)
SCHEMBL5709346 0.68 BCHE (0.35)
SCHEMBL5709418 0.68 BCHE (0.45)
SCHEMBL13754717 0.65 PDK2 (0.38)
SCHEMBL16306896 0.65 TACR1 (0.33) BACE1TOP2A
SCHEMBL30528638 0.65 TACR1 (0.42) TOP2A

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
EP-3218374-B1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2021-12-29 EP disclosed
US-10150767-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2018-12-11 US disclosed
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3218374-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 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-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 BACE1 873/4885APP 2434/4885KDM1A 147/4885
US-10150767-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 BACE1 873/4885APP 2434/4885KDM1A 147/4885

“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.