SCHEMBL2426329

SCHEMBL2426329

O=c1cc(-c2ccc(F)cc2)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 8/20 1.00
GABRP O00591 5/20 1.00
GABRD O14764 5/20 1.00
GABRA1 P14867 5/20 1.00
GABRB1 P18505 5/20 1.00
GABRG2 P18507 5/20 1.00
GABRB3 P28472 5/20 1.00
GABRA5 P31644 5/20 1.00
GABRA3 P34903 5/20 1.00
GABRA2 P47869 5/20 1.00
GABRB2 P47870 5/20 1.00
GABRA4 P48169 5/20 1.00
GABRE P78334 5/20 1.00
GABRA6 Q16445 5/20 1.00
GABRG1 Q8N1C3 5/20 1.00
GABRG3 Q99928 5/20 1.00
GABRQ Q9UN88 5/20 1.00
PARP1 P09874 3/20 1.00
TNKS2 Q9H2K2 3/20 1.00
GUSB P08236 1/20 0.81

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
SCHEMBL23070093 0.86 TNKS (0.93) TNKSGABRPGABRDGABRA1GABRB1
Flavone SCHEMBL15676601 0.86 TNKS (1.00) TNKSGABRPGABRDGABRA1GABRB1
Flavone SCHEMBL28248986 0.86 TNKS (1.00) TNKSGABRPGABRDGABRA1GABRB1
Flavone SCHEMBL31316377 0.86 TNKS (1.00) TNKSGABRPGABRDGABRA1GABRB1
Flavone SCHEMBL18879 0.86 TNKS (1.00) TNKSGABRPGABRDGABRA1GABRB1
Flavone SCHEMBL30542161 0.86 TNKS (1.00) TNKSGABRPGABRDGABRA1GABRB1
Flavone SCHEMBL9530678 0.84 TNKS (0.96) TNKSGABRPGABRDGABRA1GABRB1
Flavone SCHEMBL6908621 0.84 TNKS (0.96) TNKSGABRPGABRDGABRA1GABRB1
Flavone SCHEMBL1660769 0.84 TNKS (0.96) TNKSGABRPGABRDGABRA1GABRB1
Flavone SCHEMBL8069086 0.84 TNKS (0.96) TNKSGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016225-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES PARATEK PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-20180016225-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES PARATEK PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-20150141381-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES PARATEK PHARMACEUTICALS, INC. (US) 2015-05-21 US disclosed
US-20150141381-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES PARATEK PHARMACEUTICALS, INC. (US) 2015-05-21 US disclosed
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20110306611-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110306611-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110306611-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. 2006-07-20 US disclosed
WO-2006076009-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed
EP-1558341-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2005-08-03 EP disclosed
US-20050124678-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
EP-1524974-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2005-04-27 EP disclosed
WO-2004041209-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2004-05-21 WO disclosed
WO-2004001058-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed
US-20030229065-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. 2003-12-11 US disclosed
US-6046231-A ADMINISTERING A SUFFICIENT AMOUNT OF A CANCER CHEMOPREVENTATIVE COMPOSITION COMPRISING 4'-BROMOFLAVONE TO A MAMMAL IN NEED TO PREVENT, DELAY OR REVERSE A CANCER SENSITIVE TO 4'-BROMOFLAVONE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-04 US disclosed
EP-0267155-A2 Bicyclic compounds Zyma SA (CH) 1988-05-11 EP 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 (7 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-20110306611-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB TNKS 1140/4885GABRP 1579/4885GABRD 1267/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB TNKS 1140/4885GABRP 1579/4885GABRD 1267/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB TNKS 1140/4885GABRP 1579/4885GABRD 1267/4885
US-20030229065-A1 Transcription factor modulating compounds and methods of use thereof RELA, ATF4, JUN TNKS 2448/4885GABRP 3932/4885GABRD 2496/4885
US-20050124678-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB TNKS 1140/4885GABRP 1579/4885GABRD 1267/4885
US-20180016225-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES TBCA, TUBB6, TUBB TNKS 1222/4885GABRP 4389/4885GABRD 3099/4885
US-20150141381-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES TBCA, TUBB6, TUBB TNKS 1222/4885GABRP 4389/4885GABRD 3099/4885

“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.