SCHEMBL12325961

SCHEMBL12325961

COc1ccc2nc(-c3ccccc3)n(O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
GAA P10253 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
ALDH1A1 P00352 9/20 0.48
HPGD P15428 4/20 0.48
HTT P42858 4/20 0.48
TP53 P04637 3/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 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
SCHEMBL16509244 0.82 ADORA3 (0.51) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL12325734 0.82 KDM4E (0.65) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL16509242 0.82 KDM4E (0.49) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL14922007 0.81 KDM4E (0.69) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL4589453 0.79 ALDH1A1 (0.57) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL2326375 0.78 BRD4 (0.45) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL6475362 0.78 ALDH1A1 (0.74) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL2326385 0.78 ALDH1A1 (0.59) KDM4ESMN1; SMN2RAB9ACYP11B1CYP11B2
SCHEMBL12325957 0.77 KDM4E (0.68) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL3639863 0.77 KDM4E (1.00) KDM4ESMN1; SMN2NPC1RAB9AGAA

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-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-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US 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-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 (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 KDM4E 360/4885SMN1; SMN2 4868/4885NPC1 3055/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 KDM4E 500/4885SMN1; SMN2 4876/4885NPC1 3138/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB KDM4E 360/4885SMN1; SMN2 4868/4885NPC1 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.