SCHEMBL444345

SCHEMBL444345

c1ccc(-c2cc3c(cn2)sc2ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
IDO1 P14902 2/20 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
SCHEMBL25714662 0.89 GABRP (0.41) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL14752143 0.85 GPR3 (0.44) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL25714764 0.84 GABRP (0.39) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL13245714 0.84 GABRP (0.40) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL24055542 0.81 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25461715 0.80 GPR3 (0.45) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL25462901 0.79 MEN1 (0.50) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL13021722 0.79 GPR3 (0.44) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL25463033 0.78 NPC1 (0.39) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL13021723 0.77 GPR3 (0.39) GPR3GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES ZFX, VDAC1, PDCD1LG2 GPR3 3470/4885GABRP 288/4885GABRD 175/4885

“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.