SCHEMBL13643288

SCHEMBL13643288

Clc1cc(Cl)c2cc(Br)c3ccccc3c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PRNP P04156 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 3/20 0.34
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32
PTGES O14684 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
HSP90AA1 P07900 2/20 0.32
ALOX15B O15296 1/20 0.32

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
SCHEMBL7697568 0.78 ENPP3 (0.46) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL13643297 0.77 ALDH1A1 (0.43) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL13643279 0.76 ALDH1A1 (0.44) ALDH1A1MAPTHPGDL3MBTL1CCR1
SCHEMBL13643300 0.75 L3MBTL1 (0.44) ALDH1A1MAPTL3MBTL1CCR1CCR8
SCHEMBL8140334 0.74 MAPT (0.69) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL29498093 0.74 MAPT (0.69) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL29498044 0.73 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AHPGDL3MBTL1
SCHEMBL13643293 0.72 GSTP1 (0.42) ALDH1A1MAPTHPGDL3MBTL1CCR1
SCHEMBL14690812 0.71 NR4A2 (0.50) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL28494434 0.69 MAOA (0.50) ALDH1A1MAPTMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 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-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 ALDH1A1 15/4885MAPT 859/4885MEN1 2133/4885

“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.