SCHEMBL4547014

SCHEMBL4547014

Brc1ccc(-c2cc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.53
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
HK1 P19367 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
GAA P10253 3/20 0.48
MGAM O43451 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
IDO1 P14902 1/20 0.47
METAP2 P50579 1/20 0.47
MAPK1 P28482 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45

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
SCHEMBL4547017 0.92 MCL1 (0.59) MCL1ALDH1A1RAB9ANPC1MEN1
SCHEMBL21879709 0.91 MCL1 (0.58) MCL1ALDH1A1RAB9ANPC1MEN1
SCHEMBL12698560 0.91 MCL1 (0.58) MCL1ALDH1A1RAB9ANPC1MEN1
SCHEMBL2743814 0.90 MCL1 (0.57) MCL1ALDH1A1RAB9ANPC1MEN1
SCHEMBL31191274 0.90 RAB9A (0.55) MCL1ALDH1A1RAB9ANPC1MEN1
SCHEMBL12979679 0.90 RAB9A (0.55) MCL1ALDH1A1RAB9ANPC1MEN1
SCHEMBL1034535 0.89 MCL1 (0.56) MCL1ALDH1A1RAB9ANPC1MEN1
SCHEMBL29993047 0.89 GABRA1 (0.57) MCL1ALDH1A1RAB9ANPC1MEN1
SCHEMBL15857350 0.89 GABRA1 (0.57) MCL1ALDH1A1RAB9ANPC1MEN1
SCHEMBL1031160 0.88 RAB9A (0.53) MCL1ALDH1A1RAB9ANPC1MEN1

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-8178215-B2 Organic compound containing at least two carbazolyl-substituted phenyl structures; charge-transporting material and organic el element containing the compound PIONEER CORPORATION (JP) 2012-05-15 US disclosed
US-8178215-B2 Organic compound containing at least two carbazolyl-substituted phenyl structures; charge-transporting material and organic el element containing the compound PIONEER CORPORATION (JP) 2012-05-15 US disclosed
US-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT PIONEER CORPORATION (JO) 2009-09-24 US disclosed
US-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT PIONEER CORPORATION (JO) 2009-09-24 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-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLCO2B1 MCL1 4592/4885ALDH1A1 1465/4885RAB9A 1478/4885

“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.