SCHEMBL16008102

SCHEMBL16008102

CCOC(=O)c1nc2c(-c3ccccc3Oc3ccccc3)[nH]c(C)c2c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.59
CYP1A2 P05177 2/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL16008817 0.89 BRD4 (0.64) BRD4POLBP2RX3MMP13
SCHEMBL16008205 0.82 BRD4 (0.69) BRD4
SCHEMBL16008399 0.79 BRD4 (0.59) BRD4KDM4EALDH1A1GAAHPGD
SCHEMBL16008532 0.74 BRD4 (1.00) BRD4
SCHEMBL16008919 0.74 BRD4 (0.59) BRD4POLBKDM4EALDH1A1HPGD
SCHEMBL28043446 0.73 NPC1 (0.51) BRD4NPC1TDP2NSD2LMNA
Ethoxycarbonyl Group SCHEMBL28043334 0.73 BRD4 (0.81) BRD4MAPT
SCHEMBL16007874 0.72 SMN1; SMN2 (0.51) BRD4KDM4EALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL16008341 0.72 MAPT (0.50) BRD4KDM4EALDH1A1NPC1TDP2
SCHEMBL16008336 0.71 BRD4 (0.72) BRD4CYP1A2POLBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970262-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP claimed
WO-2014164771-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO claimed
US-20140256705-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 US claimed
EP-2970262-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9050346-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-06-09 US disclosed
WO-2014164771-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140256705-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 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 (1 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-20140256705-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BRD4 1/4885CYP1A2 1154/4885POLB 733/4885

“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.