SCHEMBL3667563

SCHEMBL3667563

Nc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.70
MAPT P10636 11/20 0.63
MEN1 O00255 8/20 0.63
KMT2A Q03164 8/20 0.63
MAPK1 P28482 1/20 0.63
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
RAB9A P51151 1/20 0.54
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL3666032 0.86 MAPT (0.60) MITFMAPTMEN1KMT2AMAPK1
SCHEMBL9395569 0.85 MAPT (0.72) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL16501694 0.85 MAPT (0.59) MITFMAPTMEN1KMT2AMAPK1
SCHEMBL13783550 0.81 MAPT (0.73) MITFMAPTMEN1KMT2AMAPK1
SCHEMBL7206916 0.80 MITF (0.62) MITFMAPTMEN1KMT2ATDP1
SCHEMBL6258298 0.79 MAPT (0.71) MITFMAPTMEN1KMT2ATDP1
SCHEMBL22288574 0.79 MAPT (0.50) MITFMAPTMEN1KMT2AMAPK1
SCHEMBL8107611 0.78 MAPT (0.60) MAPTMEN1KMT2AMAPK1TDP1
Hydrochloric Acid SCHEMBL2989250 0.78 MAPT (0.70) MITFMAPTMEN1KMT2ATDP1
SCHEMBL8353349 0.78 MEN1 (1.00) MAPTMEN1KMT2AMAPK1TDP1

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 15 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
CN-101626765-B Transcription factor modulating compounds and methods of use thereof PARATEK PHARM INNC 2012-12-26 CN 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
CN-101626765-A Transcription factor modulating compounds and methods of use thereof PARATEK PHARM INNC 2010-01-13 CN disclosed
EP-2139474-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2010-01-06 EP disclosed
US-20090170812-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
EP-2038274-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2009005551-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
WO-2008130368-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2008-10-30 WO 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

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 MITF 41/4885MAPT 4415/4885MEN1 4225/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB MITF 41/4885MAPT 4415/4885MEN1 4225/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 MITF 42/4885MAPT 4703/4885MEN1 4383/4885
US-20090170812-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB MITF 41/4885MAPT 4415/4885MEN1 4225/4885

“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.