SCHEMBL16501005

SCHEMBL16501005

Brc1ccc(-c2ccc(-n3c4ccccc4c4cc(I)ccc43)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC4 P56524 1/20 0.40
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TSPO P30536 1/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
RAD52 P43351 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTGER4 P35408 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 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
SCHEMBL17122363 0.95 KDM4E (0.48) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL17122361 0.92 ALDH1A1 (0.33) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL559718 0.89 L3MBTL1 (0.53) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL15158496 0.88 ALDH1A1 (0.40) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL16500780 0.88 KDM4E (0.50) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL16500889 0.87 KDM4E (0.57) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL30516768 0.86 L3MBTL1 (0.48) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL22903440 0.86 L3MBTL1 (0.48) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL14913074 0.86 L3MBTL1 (0.52) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL30040723 0.86 L3MBTL1 (0.52) KDM4EATML3MBTL1HDAC4ALDH1A1

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-9145363-B2 Aromatic amine derivative and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-09-29 US disclosed
US-9145363-B2 Aromatic amine derivative and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-09-29 US disclosed
US-20110297924-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-08 US disclosed
US-20110297924-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-08 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-20110297924-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC18A2, SLC18A1, SLC7A5 KDM4E 214/4885ATM 1297/4885L3MBTL1 1214/4885

“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.