SCHEMBL13844444

SCHEMBL13844444

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
LMNA P02545 2/20 0.63
POLB P06746 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
AHR P35869 1/20 0.63
CASP6 P55212 1/20 0.63
NPC1 O15118 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
KDM4E B2RXH2 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 2/20 0.59
GAA P10253 1/20 0.59
HTT P42858 3/20 0.59
RXFP1 Q9HBX9 3/20 0.59
MAPT P10636 5/20 0.57
ALDH1A1 P00352 4/20 0.57

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
SCHEMBL12325819 0.92 RAB9A (0.56) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL12325442 0.89 BTK (0.56) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL3721793 0.89 HTT (0.54) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL12325450 0.88 NPBWR1 (0.56) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL12325784 0.88 HTT (0.50) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL13844364 0.88 HTT (0.53) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL14105738 0.88 MAPT (0.56) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL12325963 0.87 MAPT (0.53) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL4055090 0.86 HTT (0.65) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL3718605 0.86 MAPT (0.52) RAB9AMEN1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306611-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2011-12-15 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
US-20090131401-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

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

For each of this compound's patents that has machine-readable text (3 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 4067/4885MEN1 4225/4885KMT2A 806/4885
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB RAB9A 4067/4885MEN1 4225/4885KMT2A 806/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 RAB9A 3873/4885MEN1 4383/4885KMT2A 929/4885

“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.