SCHEMBL3665349

SCHEMBL3665349

CN(C)c1ccc(C(=O)Nc2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KCNK3 O14649 1/20 0.52
SNCA P37840 1/20 0.52
GAA P10253 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 2/20 0.48
PDE5A O76074 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
TSHR P16473 1/20 0.48
HDAC1 Q13547 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL13210703 0.88 RAB9A (0.65) RAB9ANPC1KMT2AL3MBTL1GAA
SCHEMBL9983947 0.87 KCNK3 (0.48) RAB9ANPC1KMT2AKCNK3SNCA
SCHEMBL1343798 0.83 KDM4E (0.63) RAB9ANPC1KMT2AL3MBTL1GAA
SCHEMBL7295247 0.81 RAB9A (0.62) RAB9ANPC1KMT2AL3MBTL1GAA
SCHEMBL8891802 0.81 KMT2A (0.70) RAB9ANPC1KMT2AL3MBTL1SNCA
SCHEMBL95300 0.81 RAB9A (0.58) RAB9ANPC1KMT2AL3MBTL1GAA
SCHEMBL9449861 0.79 NPC1 (0.64) RAB9ANPC1KMT2AKCNK3SNCA
SCHEMBL4150112 0.78 KMT2A (0.55) RAB9ANPC1KMT2AL3MBTL1GAA
SCHEMBL9341350 0.77 RAB9A (0.54) RAB9ANPC1KMT2AL3MBTL1GAA
SCHEMBL14032697 0.76 NPC1 (0.50) RAB9ANPC1KMT2AL3MBTL1SNCA

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 8 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
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
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 (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 4067/4885NPC1 3055/4885KMT2A 806/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB RAB9A 4067/4885NPC1 3055/4885KMT2A 806/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 RAB9A 3873/4885NPC1 3138/4885KMT2A 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.