SCHEMBL16047925

SCHEMBL16047925

Nc1cc(Br)c(Oc2ccc(F)cc2F)cc1Oc1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.50
ALDH1A1 P00352 2/20 0.42
TRPA1 O75762 3/20 0.41
HSPB1 P04792 3/20 0.40
MAP4K4 O95819 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
MAPK14 Q16539 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL30194335 0.92 EPAS1 (0.51) EPAS1ALDH1A1TRPA1HSPB1MAP4K4
SCHEMBL16738742 0.92 EPAS1 (0.51) EPAS1ALDH1A1TRPA1HSPB1MAP4K4
SCHEMBL16048593 0.92 EPAS1 (0.48) EPAS1ALDH1A1TRPA1HSPB1MAP4K4
SCHEMBL28496413 0.91 L3MBTL1 (0.50) EPAS1ALDH1A1TRPA1HSPB1SLC6A2
SCHEMBL29549147 0.91 L3MBTL1 (0.50) EPAS1ALDH1A1TRPA1HSPB1SLC6A2
SCHEMBL16047284 0.90 EPAS1 (0.50) EPAS1ALDH1A1TRPA1HSPB1MAP4K4
SCHEMBL2443815 0.87 EPAS1 (0.48) EPAS1ALDH1A1TRPA1HSPB1MAP4K4
SCHEMBL20155521 0.82 EPAS1 (0.44) EPAS1ALDH1A1TRPA1HSPB1MAP4K4
SCHEMBL29533442 0.81 EPAS1 (0.55) EPAS1ALDH1A1TRPA1HSPB1MAP4K4
SCHEMBL20160290 0.81 EPAS1 (0.44) EPAS1ALDH1A1TRPA1HSPB1MAP4K4

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-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC (US) 2016-08-18 US disclosed
US-9321764-B2 Dihydro-pyrrolopyridinone inhibitors ABBVIE INC. (US) 2016-04-26 US disclosed
EP-2970276-A1 DIHYDRO-PYRROLOPYRIDINONE BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
WO-2014165143-A1 DIHYDRO-PYRROLOPYRIDINONE BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC. 2014-09-18 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-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR EPAS1 1091/4885ALDH1A1 439/4885TRPA1 3934/4885
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR EPAS1 1091/4885ALDH1A1 439/4885TRPA1 3934/4885

“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.