SCHEMBL6166807

SCHEMBL6166807

c1ccc(Oc2ccccc2-c2c[nH]nn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.42
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PTGS2 P35354 1/20 0.40
FYN P06241 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL2197897 0.79 ALDH1A1 (0.38) LMNAGAAKMT2A
SCHEMBL5612883 0.79 METAP2 (0.53) GAATSHR
SCHEMBL6406032 0.77 NCOA1 (0.55) BRD4NCOA1NCOA3PTGS2FFAR4
SCHEMBL5612692 0.76 BRD4 (0.56) BRD4LTA4HHTR1A
SCHEMBL22276765 0.75 NPC1 (0.49) LTA4HTSHR
SCHEMBL29378909 0.75 CNR2 (0.46) FFAR4
SCHEMBL2203391 0.74 TSHR (0.58) BRD4NCOA1NCOA3PTGS2FFAR4
SCHEMBL5612902 0.74 AKT1 (0.41) BRD4PTGS2
SCHEMBL31231553 0.74 AKT1 (0.41) BRD4PTGS2
SCHEMBL11669563 0.73 BRD4 (0.40) BRD4NCOA1NCOA3PTGS2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 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 (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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP BRD4 2058/4885NCOA1 4628/4885NCOA3 4291/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP BRD4 2010/4885NCOA1 4635/4885NCOA3 4189/4885

“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.