SCHEMBL12325734

SCHEMBL12325734

COc1ccc(-c2nc3ccccc3n2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.65
LMNA P02545 4/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 8/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
MAPT P10636 5/20 0.63
TP53 P04637 5/20 0.63
CNR2 P34972 3/20 0.63
HTT P42858 5/20 0.62
NPSR1 Q6W5P4 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TSHR P16473 2/20 0.62
GAA P10253 2/20 0.62
HPGD P15428 4/20 0.61
HIF1A Q16665 1/20 0.61
HSD17B10 Q99714 2/20 0.59
CNR1 P21554 1/20 0.55

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
SCHEMBL5011775 0.83 ALDH1A1 (0.68) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL16509244 0.82 ADORA3 (0.51) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL12325961 0.82 KDM4E (0.62) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL1284437 0.81 KDM4E (0.74) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL29475390 0.81 KDM4E (0.74) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL6912346 0.80 ALDH1A1 (0.67) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL10080422 0.79 KDM4E (0.80) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL12387034 0.79 KDM4E (0.66) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL8025747 0.79 ALDH1A1 (0.65) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL12325283 0.79 KMT2A (1.00) KDM4ELMNANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US 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 (2 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB KDM4E 360/4885LMNA 3323/4885NPC1 3055/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB KDM4E 360/4885LMNA 3323/4885NPC1 3055/4885

“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.