SCHEMBL20202047

SCHEMBL20202047

c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N2c4ccccc4Sc4cccc3c42)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
MAOA P21397 1/20 0.36
NOX1 Q9Y5S8 1/20 0.35
BCHE P06276 7/20 0.33
ACHE P22303 3/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 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
SCHEMBL30972504 0.84 HDAC6 (0.40) HDAC6MAOANOX1BCHEACHE
SCHEMBL15030784 0.84 HDAC6 (0.40) HDAC6MAOANOX1BCHEACHE
SCHEMBL20202037 0.84 ALDH1A1 (0.39) BCHEADAMTS5ALDH1A1CYP1A2CYP3A4
SCHEMBL24569263 0.82 NOX1 (0.36) HDAC6MAOANOX1BCHEACHE
SCHEMBL20202038 0.81 ALDH1A1 (0.39) BCHEADAMTS5ALDH1A1CYP1A2CYP3A4
SCHEMBL21867486 0.81 HDAC6 (0.37) HDAC6MAOABCHEACHEADAMTS5
SCHEMBL30963996 0.79 HDAC6 (0.33) HDAC6MAOAADAMTS5ALDH1A1CYP1A2
SCHEMBL17084432 0.79 BCHE (0.38) HDAC6MAOANOX1BCHENPSR1
SCHEMBL29387100 0.79 HDAC6 (0.56) HDAC6MAOANOX1BCHEACHE
SCHEMBL342426 0.79 HDAC6 (0.56) HDAC6MAOANOX1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787467-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-29 US disclosed
US-20180148462-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-31 US disclosed
US-20180148462-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-31 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 (2 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-20180148462-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME PKD1, ODC1, PIEZO1 HDAC6 2655/4885MAOA 1466/4885NOX1 1845/4885
US-10787467-B2 Polycyclic compound and organic electroluminescence device including the same PKD1, ODC1, PIEZO1 HDAC6 2655/4885MAOA 1466/4885NOX1 1845/4885

“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.