SCHEMBL7921899

SCHEMBL7921899

OCc1cc(N2CCCCC2)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
ALOX15 P16050 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TERT O14746 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
S100B P04271 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
SUV39H2 Q9H5I1 2/20 0.41
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL29126327 0.83 CHKA (0.50) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7918914 0.81 CHRNA7 (0.34) MAPK1SUV39H2TSHR
SCHEMBL19212139 0.80 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL194626 0.79 NR1H2 (0.43) ALDH1A1MAPTALOX15L3MBTL1TERT
SCHEMBL7913786 0.79 ALDH1A1 (0.39) ALDH1A1MAPTALOX15L3MBTL1TERT
SCHEMBL7916691 0.76 DRD4 (0.53) ALDH1A1MAPTALOX15L3MBTL1TERT
SCHEMBL28001716 0.76 HPGD (0.50) ALDH1A1MAPTALOX15L3MBTL1TERT
SCHEMBL7907757 0.76 KDM4E (0.44) ALDH1A1MAPTALOX15L3MBTL1TERT
SCHEMBL7921901 0.76 ALDH1A1 (0.50) ALDH1A1MAPTALOX15L3MBTL1MEN1
SCHEMBL9830003 0.75 TERT (0.48) ALDH1A1MAPTALOX15L3MBTL1TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 ALDH1A1 3158/4885MAPT 8/4885ALOX15 2733/4885

“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.