SCHEMBL2425654

SCHEMBL2425654

N#CCCn1c(-c2ccccc2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
ALOX5 P09917 2/20 0.48
PTGS2 P35354 2/20 0.48
ALOX15 P16050 1/20 0.48
PIN1 Q13526 1/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
AHR P35869 1/20 0.47
CASP6 P55212 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
APOBEC3A P31941 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL2422231 0.91 RAB9A (0.54) CYP19A1PIN1LMNARAB9APOLB
SCHEMBL2424564 0.84 LMNA (0.56) CYP19A1ALOX5PTGS2ALOX15PIN1
SCHEMBL16509309 0.81 NLRP3 (0.67) LMNAPOLBALDH1A1MAPTKDM4E
SCHEMBL10986929 0.78 ALDH1A1 (0.71) CYP19A1LMNARAB9APOLBTDP1
SCHEMBL9216493 0.74 KDM4E (0.55) CYP19A1ALOX5PTGS2ALOX15PIN1
SCHEMBL2425162 0.74 RAB9A (0.65) PIN1LMNARAB9APOLBTDP1
SCHEMBL9213942 0.74 KDM4E (0.71) CYP19A1PIN1LMNARAB9APOLB
SCHEMBL11776849 0.73 MAPT (0.70) LMNAPOLBL3MBTL1MEN1KMT2A
SCHEMBL6985924 0.73 CNR2 (0.45) CYP19A1ALOX5PTGS2ALOX15PIN1
SCHEMBL12325949 0.72 RAB9A (0.71) LMNARAB9APOLBTDP1L3MBTL1

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 22 patents — showing the first 20. 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
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-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
EP-1524974-A4 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARM INNC (US) 2007-12-05 EP disclosed
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. 2006-07-20 US 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-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 CYP19A1 3714/4885ALOX5 2230/4885PTGS2 1521/4885
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB CYP19A1 3714/4885ALOX5 2230/4885PTGS2 1521/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB CYP19A1 3714/4885ALOX5 2230/4885PTGS2 1521/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB CYP19A1 3714/4885ALOX5 2230/4885PTGS2 1521/4885
US-20030229065-A1 Transcription factor modulating compounds and methods of use thereof RELA, ATF4, JUN CYP19A1 2335/4885ALOX5 1645/4885PTGS2 1123/4885
US-20050124678-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB CYP19A1 3714/4885ALOX5 2230/4885PTGS2 1521/4885

“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.