SCHEMBL3721793

SCHEMBL3721793

O=[N+]([O-])c1ccc2nc(-c3ccc(C#Cc4ccccc4)cc3)n(O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.54
KDM4E B2RXH2 4/20 0.54
RXFP1 Q9HBX9 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 5/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
AHR P35869 1/20 0.53
CASP6 P55212 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NLRP3 Q96P20 2/20 0.50
NPC1 O15118 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
NPBWR1 P48145 1/20 0.48

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
SCHEMBL13844297 0.90 HTT (0.47) HTTKDM4ERXFP1MEN1KMT2A
SCHEMBL13844444 0.89 RAB9A (0.63) HTTKDM4ERXFP1MEN1KMT2A
SCHEMBL14922054 0.87 RAB9A (0.48) HTTKDM4ERXFP1MEN1KMT2A
SCHEMBL12325442 0.84 BTK (0.56) HTTKDM4ERXFP1MEN1KMT2A
SCHEMBL14105738 0.83 MAPT (0.56) HTTKDM4ERXFP1MEN1KMT2A
SCHEMBL13844364 0.83 HTT (0.53) HTTKDM4ERXFP1MEN1KMT2A
SCHEMBL12325819 0.82 RAB9A (0.56) HTTKDM4ERXFP1MEN1KMT2A
SCHEMBL3718605 0.82 MAPT (0.52) HTTKDM4ERXFP1MEN1KMT2A
SCHEMBL4055090 0.82 HTT (0.65) HTTKDM4ERXFP1MEN1KMT2A
SCHEMBL12325820 0.81 RAB9A (0.54) HTTKDM4ERXFP1MEN1KMT2A

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 9 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-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
EP-2139474-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2010-01-06 EP 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-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 (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 HTT 3865/4885KDM4E 360/4885RXFP1 1535/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB HTT 3865/4885KDM4E 360/4885RXFP1 1535/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 HTT 4281/4885KDM4E 500/4885RXFP1 1749/4885

“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.