SCHEMBL1079159

SCHEMBL1079159

On1c2ccccc2c2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.45
KMT2A Q03164 1/20 0.42
DAO P14920 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC6A2 P23975 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 2/20 0.38
LDHA P00338 1/20 0.38
DNM1 Q05193 1/20 0.37
CCNT1 O60563 1/20 0.37
PIM1 P11309 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL3514691 0.77 FEN1 (0.58) FEN1DAOLDHAMAPTKDM4E
SCHEMBL17265910 0.77 FEN1 (0.38) FEN1KMT2ADAOHDAC3HDAC1
SCHEMBL257570 0.76 ACHE (0.39) FEN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL18958671 0.76 ACHE (0.39) FEN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL25882935 0.76 ACHE (0.39) FEN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL16011813 0.76 HDAC1 (0.43) FEN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL280139 0.76 GPR3 (0.58) FEN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL8975801 0.76 ACHE (0.39) FEN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL1408789 0.75 GPR3 (0.52) FEN1KMT2ADAOSLC6A2BACE1
SCHEMBL18381782 0.74 GPR3 (0.56) FEN1HDAC3HDAC1HDAC2HDAC6

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
WO-2011055914-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-05-12 WO claimed
WO-2011010839-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-01-27 WO claimed
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 US disclosed
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 WO disclosed
WO-2015175678-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-19 WO disclosed
WO-2011055914-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-05-12 WO disclosed
WO-2011010839-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-01-27 WO 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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB FEN1 652/4885KMT2A 2223/4885DAO 1120/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 FEN1 1252/4885KMT2A 1916/4885DAO 119/4885

“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.