SCHEMBL16008197

SCHEMBL16008197

Cc1[nH]c(-c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c2nc[nH]c(=O)c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.71
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MLNR O43193 1/20 0.41
MMP1 P03956 1/20 0.41
MPO P05164 1/20 0.41
GLA P06280 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP19A1 P11511 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL16008119 0.84 BRD4 (0.77) BRD4
SCHEMBL16008532 0.83 BRD4 (1.00) BRD4
SCHEMBL16008879 0.80 BRD4 (1.00) BRD4
SCHEMBL15328848 0.72 BRD4 (0.72) BRD4
SCHEMBL1553699 0.70 MAPT (0.57) BRD4MAPTMEN1KMT2ALMNA
SCHEMBL16008205 0.69 BRD4 (0.69) BRD4
SCHEMBL7885154 0.69 MAPT (0.56) BRD4MAPTMEN1KMT2ALMNA
SCHEMBL28043101 0.69 AR (0.47) BRD4MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL16008025 0.68 AR (0.46) BRD4MAPTMEN1KMT2ALMNA
SCHEMBL7885152 0.68 MAPT (0.54) BRD4MAPTMEN1KMT2ALMNA

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
EP-2970262-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
CN-105164127-A Bromodomain inhibitors ABBVIE INC 2015-12-16 CN 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 1/4885MAPT 1922/4885MEN1 948/4885

“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.