SCHEMBL1617463

SCHEMBL1617463

O=C1C(Br)CCCC1c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR3A P46098 1/20 0.37
LIG1 P18858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SRD5A1 P18405 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC2A1 P11166 1/20 0.35
RAB9A P51151 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL1616733 0.82 GAA (0.33) TP53L3MBTL1MEN1KMT2A
SCHEMBL963102 0.81 TP53 (0.54) TP53L3MBTL1SMN1; SMN2MAPTKMT2A
SCHEMBL961105 0.79 LMNA (0.37) TP53L3MBTL1LIG1MAPTMEN1
SCHEMBL195564 0.78 HTR2C (0.40) TP53L3MBTL1
SCHEMBL6627769 0.78 TP53 (0.50) TP53L3MBTL1KMT2ANPSR1ALDH1A1
SCHEMBL1615843 0.77 HTR1A (0.38) TP53L3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL1617043 0.77 GAA (0.42) TP53MAPTNPSR1ALDH1A1
Bromide SCHEMBL1617255 0.77 SLC6A2 (0.38) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL1617282 0.75 ABCC9 (0.38) MAPTMEN1KMT2AALDH1A1
SCHEMBL17197179 0.75 MAPK1 (0.40) TP53SMN1; SMN2ALDH1A1

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
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 TP53 1297/4885L3MBTL1 521/4885HTR3A 165/4885

“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.