SCHEMBL2425706

SCHEMBL2425706

O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccccc3)c2c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.86
CYP1A2 P05177 4/20 0.86
CYP2C9 P11712 4/20 0.86
NPC1 O15118 4/20 0.86
POLB P06746 4/20 0.86
LMNA P02545 4/20 0.86
TDP1 Q9NUW8 2/20 0.86
CYP2D6 P10635 2/20 0.86
CYP2C19 P33261 2/20 0.86
CTDSP1 Q9GZU7 1/20 0.86
KMT2A Q03164 7/20 0.74
MEN1 O00255 5/20 0.74
AHR P35869 1/20 0.74
CASP6 P55212 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
MAPT P10636 7/20 0.70
ALDH1A1 P00352 5/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
CYP3A4 P08684 1/20 0.70
ALOX12 P18054 1/20 0.70

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
SCHEMBL2421809 0.93 LMNA (0.83) RAB9ACYP1A2CYP2C9NPC1POLB
SCHEMBL13856816 0.91 LMNA (0.76) RAB9ACYP1A2CYP2C9NPC1POLB
SCHEMBL14104700 0.88 RAB9A (0.69) RAB9ACYP1A2CYP2C9NPC1POLB
SCHEMBL2420953 0.88 RAB9A (0.68) RAB9ACYP1A2CYP2C9NPC1POLB
SCHEMBL13959573 0.87 RAB9A (0.76) RAB9ACYP1A2CYP2C9NPC1POLB
SCHEMBL12326646 0.85 RAB9A (0.72) RAB9ACYP1A2CYP2C9NPC1POLB
SCHEMBL12325958 0.85 RAB9A (0.72) RAB9ACYP1A2CYP2C9NPC1POLB
SCHEMBL12326650 0.85 RAB9A (0.76) RAB9ACYP1A2CYP2C9NPC1POLB
SCHEMBL2423434 0.85 RAB9A (1.00) RAB9ACYP1A2CYP2C9NPC1POLB
SCHEMBL12325949 0.84 RAB9A (0.71) RAB9ACYP1A2CYP2C9NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
EP-1524974-A4 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARM INNC (US) 2007-12-05 EP disclosed
EP-1742637-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2007-01-17 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 RAB9A 4067/4885CYP1A2 3557/4885CYP2C9 3774/4885
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB RAB9A 4067/4885CYP1A2 3557/4885CYP2C9 3774/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB RAB9A 4067/4885CYP1A2 3557/4885CYP2C9 3774/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB RAB9A 4067/4885CYP1A2 3557/4885CYP2C9 3774/4885
US-20030229065-A1 Transcription factor modulating compounds and methods of use thereof RELA, ATF4, JUN RAB9A 4484/4885CYP1A2 4268/4885CYP2C9 4741/4885
US-20050124678-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB RAB9A 4067/4885CYP1A2 3557/4885CYP2C9 3774/4885

“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.