SCHEMBL4055090

SCHEMBL4055090

O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)n(O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
MAPT P10636 3/20 0.65
NLRP3 Q96P20 2/20 0.65
KDM4E B2RXH2 3/20 0.52
RXFP1 Q9HBX9 3/20 0.52
ALDH1A1 P00352 3/20 0.52
PITRM1 Q5JRX3 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 3/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 1/20 0.49
AHR P35869 1/20 0.49
CASP6 P55212 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL13844364 0.88 HTT (0.53) HTTSMN1; SMN2MAPTNLRP3KDM4E
SCHEMBL14105738 0.88 MAPT (0.56) HTTSMN1; SMN2MAPTNLRP3KDM4E
SCHEMBL3718605 0.87 MAPT (0.52) HTTSMN1; SMN2MAPTNLRP3KDM4E
SCHEMBL13844444 0.86 RAB9A (0.63) HTTSMN1; SMN2MAPTNLRP3KDM4E
SCHEMBL12325422 0.86 MAPT (0.55) HTTSMN1; SMN2MAPTNLRP3KDM4E
SCHEMBL12325784 0.85 HTT (0.50) HTTSMN1; SMN2MAPTNLRP3KDM4E
SCHEMBL12325437 0.84 SMN1; SMN2 (0.50) HTTSMN1; SMN2MAPTNLRP3KDM4E
SCHEMBL14105332 0.84 MAPT (0.49) HTTSMN1; SMN2MAPTNLRP3KDM4E
SCHEMBL14105822 0.84 PPARG (0.55) HTTSMN1; SMN2MAPTNLRP3KDM4E
SCHEMBL13844340 0.84 RAB9A (0.54) HTTSMN1; SMN2MAPTNLRP3KDM4E

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 10 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-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-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
WO-2009005551-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. 2006-07-20 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 (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-20110306611-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB HTT 3865/4885SMN1; SMN2 4868/4885MAPT 4415/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB HTT 3865/4885SMN1; SMN2 4868/4885MAPT 4415/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 HTT 4281/4885SMN1; SMN2 4876/4885MAPT 4703/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB HTT 3865/4885SMN1; SMN2 4868/4885MAPT 4415/4885

“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.