SCHEMBL1617043

SCHEMBL1617043

O=C1C(Br)CCCC1c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
AGTR1 P30556 1/20 0.42
TP53 P04637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ERBB2 P04626 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL1615843 0.88 HTR1A (0.38) GAATSHRAGTR1TP53ALDH1A1
SCHEMBL1616342 0.81 TP53 (0.41) GAATP53ALDH1A1HTR2AHTR2C
Bromide SCHEMBL1617328 0.79 TP53 (0.40) GAATP53ALDH1A1HTR2AHTR2C
SCHEMBL1617463 0.77 TP53 (0.37) TP53ALDH1A1MAPTNPSR1
SCHEMBL1617475 0.74 GAA (0.47) GAATSHRAGTR1TP53ALDH1A1
SCHEMBL1616733 0.73 GAA (0.33) GAATP53
SCHEMBL10874193 0.72 TP53 (0.46) GAATSHRAGTR1TP53ALDH1A1
SCHEMBL1616192 0.72 KMT2A (0.42) GAA
SCHEMBL30477683 0.71 TP53 (0.44) GAATSHRAGTR1TP53ALDH1A1
SCHEMBL16212244 0.71 TP53 (0.44) GAATSHRAGTR1TP53ALDH1A1

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 GAA 962/4885TSHR 4301/4885AGTR1 503/4885

“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.