SCHEMBL13643291

SCHEMBL13643291

Clc1cc(-c2ccc(-c3ccccn3)cc2)nc2c1cc(-c1cc3ccccc3c3ccccc13)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
CYP11B1 P15538 1/20 0.40
METAP1 P53582 1/20 0.38
CCR5 P51681 1/20 0.37
MAPK1 P28482 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NOTUM Q6P988 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
SCHEMBL13642920 0.91 DHODH (0.46) ALDH1A1DHODHL3MBTL1CCR1CCR8
SCHEMBL13083943 0.85 CYP11B1 (0.44) ALDH1A1DHODHCYP11B1METAP1MAPK1
SCHEMBL13083964 0.85 CYP11B1 (0.44) ALDH1A1DHODHCYP11B1METAP1MAPK1
SCHEMBL13643280 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1CCR1CCR8CYP11B1
SCHEMBL13643281 0.81 NPC1 (0.43) ALDH1A1L3MBTL1CYP11B1HSD17B10NPC1
SCHEMBL13643290 0.81 ALDH1A1 (0.43) ALDH1A1DHODHL3MBTL1CCR1CCR8
SCHEMBL13643285 0.81 KDM4E (0.38) ALDH1A1DHODHL3MBTL1CYP11B1MAPK1
SCHEMBL13643023 0.79 MAPK1 (0.47) ALDH1A1DHODHL3MBTL1CCR1CCR8
SCHEMBL9974938 0.78 DHODH (0.46) ALDH1A1DHODHL3MBTL1CCR1CCR8
SCHEMBL13642984 0.78 DHODH (0.46) DHODHL3MBTL1CCR1CCR8METAP1

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.