SCHEMBL444075

SCHEMBL444075

Nc1ccnc(Cl)c1Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NCF1 P14598 1/20 0.36
NR4A2 P43354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLK4 O00444 1/20 0.34
CHRNA7 P36544 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33

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
SCHEMBL1743914 0.83 ALDH1A1 (0.38) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL24445387 0.79 NR4A2 (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29565590 0.79 NR4A2 (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8570726 0.75 PDE4A (0.42) ALDH1A1HPGDKDM1AL3MBTL1CHRNA7
SCHEMBL31120582 0.75 POLB (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1741595 0.74 LMNA (0.41) KDM4EALDH1A1KDM1AMEN1KMT2A
SCHEMBL3793122 0.72 TSHR (0.48) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL11144934 0.69 ALDH1A1 (0.44) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL25173193 0.68 NR4A2 (0.38) KDM4EALDH1A1NR4A2SMN1; SMN2
SCHEMBL190913 0.68 L3MBTL1 (0.36) KDM4EALDH1A1HPGDCYP3A4MEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106397453-B New materials with aza-dibenzothiophene or aza-dibenzofuran core for PHOLEDs 通用显示公司 2021-06-18 CN disclosed
EP-3689882-A1 NEW MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED Universal Display Corporation (US) 2020-08-05 EP disclosed
EP-2703405-B1 NEW MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED UNIVERSAL DISPLAY CORP (US) 2020-04-15 EP disclosed
CN-105820192-B Metal complexes comprising novel ligand structures 通用显示公司 2020-04-07 CN disclosed
US-9831442-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-11-28 US disclosed
US-20170077417-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-03-16 US disclosed
US-9518063-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-12-13 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
US-9359549-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-06-07 US disclosed
US-20130060037-A1 MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED UNIVERSAL DISPLAY CORPORATION (US) 2013-03-07 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
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
EP-2387576-A2 NEW MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED Universal Display Corporation (US) 2011-11-23 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
US-20100187984-A1 MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED UNIVERSAL DISPLAY CORPORATION (US) 2010-07-29 US disclosed
WO-2010083359-A2 NEW MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED UNIVERSAL DISPLAY CORPORATION (US) 2010-07-22 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 (4 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-20170077417-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES DDT, AZI2, EED KDM4E 306/4885ALDH1A1 399/4885HPGD 3008/4885
US-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES ZFX, VDAC1, PDCD1LG2 KDM4E 663/4885ALDH1A1 1408/4885HPGD 4074/4885
US-20130060037-A1 MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED DDT, FZD7, BRD7 KDM4E 832/4885ALDH1A1 1449/4885HPGD 2598/4885
US-20100187984-A1 MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED DDT, FZD7, BRD7 KDM4E 832/4885ALDH1A1 1449/4885HPGD 2598/4885

“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.