SCHEMBL4402828

SCHEMBL4402828

Cc1cccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(C)c4)cc(-c4ccccc4)n3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ENPP3 O14638 2/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
RAB9A P51151 6/20 0.50
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL15750053 0.98 MEN1 (0.54) MEN1KMT2AENPP3ADORA2AADORA1
SCHEMBL4401758 0.96 MEN1 (0.54) MEN1KMT2AENPP3ADORA2AADORA1
SCHEMBL4546955 0.96 MEN1 (0.53) MEN1KMT2AENPP3ADORA2AADORA1
SCHEMBL4546873 0.96 MEN1 (0.53) MEN1KMT2AENPP3ADORA2AADORA1
SCHEMBL13203169 0.94 MEN1 (0.51) MEN1KMT2AENPP3ADORA2AADORA1
SCHEMBL16373506 0.94 MEN1 (0.60) MEN1KMT2AENPP3ADORA2AADORA1
SCHEMBL4546988 0.94 MEN1 (0.51) MEN1KMT2AENPP3ADORA2AADORA1
SCHEMBL4546876 0.94 MEN1 (0.60) MEN1KMT2AENPP3ADORA2AADORA1
SCHEMBL13203163 0.94 MEN1 (0.51) MEN1KMT2AENPP3ADORA2AADORA1
SCHEMBL4404679 0.94 MEN1 (0.51) MEN1KMT2AENPP3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877355-B2 Monoamine compound, charge-transporting material, and organic electroluminescent device MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-04 US disclosed
US-20130214263-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-22 US disclosed
US-8427046-B2 Monoamine compound, charge-transporting material, and organic electroluminescent device MITSUBISHI CHEMICAL CORPORATION (JP) 2013-04-23 US disclosed
US-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 US disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 US disclosed
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-09-17 US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 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 (3 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-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 MEN1 1827/4885KMT2A 1162/4885ENPP3 3963/4885
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME NFE2L2, SLC19A2, AOC2 MEN1 3718/4885KMT2A 2140/4885ENPP3 2782/4885
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE SLC7A5, SLC18A1, MAOA MEN1 2206/4885KMT2A 982/4885ENPP3 3276/4885

“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.