SCHEMBL442333

SCHEMBL442333

COc1ccccc1-c1cnc(Cl)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.52
HSP90AB1 P08238 1/20 0.52
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
LRRK2 Q5S007 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAP4K4 O95819 1/20 0.42
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL22479009 0.88 HSP90AA1 (0.52) HSP90AA1HSP90AB1HSD17B10ALDH1A1TDP1
SCHEMBL18416745 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSD17B10ALDH1A1TDP1
SCHEMBL248398 0.77 DHFR (0.37) HSP90AA1HSP90AB1ALDH1A1KDM4EADORA2A
SCHEMBL247318 0.77 NNMT (0.37) HSD17B10ALDH1A1TDP1KMT2AKDM4E
SCHEMBL25492841 0.76 MAPT (0.53) HSP90AA1HSP90AB1ALDH1A1KMT2AADORA2A
SCHEMBL24343887 0.76 PTGDR2 (0.45) HSP90AA1HSP90AB1HSD17B10ALDH1A1TDP1
SCHEMBL16641778 0.76 GAA (0.50) HSP90AA1HSP90AB1HSD17B10ALDH1A1TDP1
SCHEMBL22717267 0.76 ALDH1A1 (0.50) HSP90AA1HSD17B10ALDH1A1KMT2ACYP1A2
SCHEMBL21223447 0.76 HSD17B10 (0.51) HSP90AA1HSP90AB1HSD17B10ALDH1A1TDP1
SCHEMBL9929605 0.75 HTR1A (0.50) HSP90AA1HSP90AB1HSD17B10ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200313098-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-10-01 US disclosed
CN-105820192-B Metal complexes comprising novel ligand structures 通用显示公司 2020-04-07 CN disclosed
US-9359549-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-06-07 US disclosed
US-9359549-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-06-07 US disclosed
US-9359549-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-06-07 US disclosed
EP-2417215-B1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES UNIVERSAL DISPLAY CORP (US) 2014-05-07 EP disclosed
US-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES UNIVERSAL DISPLAY CORPORATION (US) 2012-03-15 US disclosed
US-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES UNIVERSAL DISPLAY CORPORATION (US) 2012-03-15 US disclosed
US-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES UNIVERSAL DISPLAY CORPORATION (US) 2012-03-15 US disclosed
EP-2417215-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES Universal Display Corporation (US) 2012-02-15 EP disclosed
WO-2010118029-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES UNIVERSAL DISPLAY CORPORATION (US) 2010-10-14 WO disclosed
WO-2010118029-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES UNIVERSAL DISPLAY CORPORATION (US) 2010-10-14 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-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES ZFX, VDAC1, PDCD1LG2 HSP90AA1 4574/4885HSP90AB1 4680/4885HSD17B10 3797/4885
US-20200313098-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME C1S, CBR3, ORC3 HSP90AA1 4661/4885HSP90AB1 4603/4885HSD17B10 2035/4885

“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.