SCHEMBL15067955

SCHEMBL15067955

COc1ncc(Br)c(/C=C/N(C)C)c1[N+](=O)[O-].COc1ncc(Br)c(C)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA13 Q8N1Q1 2/20 0.35
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MMP14 P50281 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL15067956 1.00 MAPT (0.44) MAPTALDH1A1CA1CA2CA7
SCHEMBL31395611 0.94 MAPT (0.49) MAPTALDH1A1CA1CA2CA7
SCHEMBL30073354 0.94 MAPT (0.49) MAPTALDH1A1CA1CA2CA7
SCHEMBL15067601 0.94 MAPT (0.49) MAPTALDH1A1CA1CA2CA7
SCHEMBL12033232 0.94 MAPT (0.49) MAPTALDH1A1CA1CA2CA7
SCHEMBL789642 0.83 GRIN2D (0.38) MAPTALDH1A1CA1CA2CA7
SCHEMBL13593456 0.83 MAPT (0.50) MAPTALDH1A1CA1CA2CA7
SCHEMBL24365089 0.82 ALDH1A1 (0.38) MAPTALDH1A1CA1CA2CA7
SCHEMBL12528073 0.80 MAPT (0.50) MAPTALDH1A1CA1CA2CA7
SCHEMBL13591723 0.80 MAPT (0.37) MAPTALDH1A1CA1CA2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539962-A1 TETRACYCLIC BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2019-09-18 EP disclosed
US-20190084981-A1 Bromodomain Inhibitors ABBVIE INC (US) 2019-03-21 US disclosed
EP-3013827-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-05-04 EP disclosed
WO-2014206345-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-12-31 WO disclosed
EP-2797918-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2014-11-05 EP disclosed
WO-2013097601-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2013-07-04 WO 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-20190084981-A1 Bromodomain Inhibitors BRD4, BRD1, BRD3 MAPT 2884/4885ALDH1A1 2033/4885CA1 1495/4885

“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.