SCHEMBL13643290

SCHEMBL13643290

Clc1cc(Cl)c2cc(-c3ccc(-c4ccccn4)cc3)c3ccccc3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
DHODH Q02127 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CCR1 P32246 2/20 0.41
CCR8 P51685 2/20 0.41
METAP1 P53582 1/20 0.40
CCR5 P51681 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TGFBR1 P36897 1/20 0.38
NOTUM Q6P988 1/20 0.38
CBFB Q13951 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL13643297 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1CCR1CCR8MAPT
SCHEMBL13643291 0.81 ALDH1A1 (0.43) ALDH1A1DHODHL3MBTL1CCR1CCR8
SCHEMBL13642857 0.80 DHODH (0.51) ALDH1A1DHODHL3MBTL1METAP1RAB9A
SCHEMBL13642996 0.80 DHODH (0.51) ALDH1A1DHODHL3MBTL1METAP1RAB9A
SCHEMBL13643172 0.80 DHODH (0.51) ALDH1A1DHODHL3MBTL1METAP1RAB9A
SCHEMBL13643282 0.79 NPC1 (0.46) ALDH1A1L3MBTL1NPC1RAB9ATP53
SCHEMBL13642956 0.79 DHODH (0.50) ALDH1A1DHODHL3MBTL1METAP1RAB9A
SCHEMBL13643096 0.79 DHODH (0.50) ALDH1A1DHODHL3MBTL1METAP1RAB9A
SCHEMBL13642796 0.79 DHODH (0.50) ALDH1A1DHODHL3MBTL1METAP1RAB9A
SCHEMBL13643293 0.77 GSTP1 (0.42) ALDH1A1L3MBTL1CCR1CCR8MAPT

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 15/4885DHODH 55/4885L3MBTL1 1339/4885

“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.