SCHEMBL2425694

SCHEMBL2425694

CSc1ccc(-c2ccccc2N)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 2/20 0.37
IDO1 P14902 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
KIF11 P52732 1/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ADORA2A P29274 1/20 0.34
BTK Q06187 1/20 0.34
MAOB P27338 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL3789739 0.88 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1
SCHEMBL28007927 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1
SCHEMBL3790226 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EGAAKIF11
SCHEMBL29377091 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EGAAKIF11
SCHEMBL3790219 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1
SCHEMBL2425765 0.79 MGAM (0.44) ALDH1A1L3MBTL1HSD17B10GAASMN1; SMN2
SCHEMBL3790087 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1
SCHEMBL397063 0.78 ALDH1A1 (0.58) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1
SCHEMBL3781022 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10IDO1KIF11
SCHEMBL25693540 0.76 NOX1 (0.40) ALDH1A1HSD17B10NOX1SMN1; SMN2CYP3A4

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 12 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
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 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-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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
WO-2004041209-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2004-05-21 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 (7 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 ALDH1A1 3948/4885L3MBTL1 573/4885HSD17B10 3530/4885
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885L3MBTL1 573/4885HSD17B10 3530/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885L3MBTL1 573/4885HSD17B10 3530/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885L3MBTL1 3838/4885HSD17B10 1100/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB ALDH1A1 3948/4885L3MBTL1 573/4885HSD17B10 3530/4885
US-20030229065-A1 Transcription factor modulating compounds and methods of use thereof RELA, ATF4, JUN ALDH1A1 3581/4885L3MBTL1 251/4885HSD17B10 2824/4885
US-20050124678-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885L3MBTL1 573/4885HSD17B10 3530/4885

“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.