SCHEMBL4085898

SCHEMBL4085898

Nc1scc(-c2cccc(C(F)(F)F)c2)c1-c1ccccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.42
ADORA2A P29274 3/20 0.42
RORB Q92753 6/20 0.39
RORC P51449 4/20 0.39
PTAFR P25105 1/20 0.38
MAOB P27338 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SLC9A1 P19634 1/20 0.36
IKBKB O14920 1/20 0.36
BRD4 O60885 1/20 0.36
XDH P47989 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL2478195 0.82 RORC (0.50) ADORA1ADORA2ARORBRORCMAOB
SCHEMBL4080804 0.79 ADORA1 (0.43) ADORA1ADORA2ARORBRORCMAOB
SCHEMBL4090647 0.79 ADORA1 (0.46) ADORA1ADORA2ARORBRORCPTAFR
SCHEMBL4091364 0.79 ADORA1 (0.56) ADORA1ADORA2ARORBRORCPTAFR
SCHEMBL8881894 0.78 RORB (0.44) ADORA1ADORA2ARORBRORCMAOB
SCHEMBL5735874 0.75 RORC (0.47) RORBRORCMAOBCNR2
SCHEMBL4078130 0.75 ADORA1 (0.40) ADORA1ADORA2ARORBRORCMAOB
SCHEMBL30679626 0.74 RORC (0.45) ADORA1ADORA2ARORBRORCMAOB
SCHEMBL4076829 0.73 RORB (0.41) ADORA1RORBRORCMAOBALDH1A1
SCHEMBL30861657 0.72 RORB (0.50) ADORA1ADORA2ARORBRORCMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013049725-A2 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2013-04-04 WO claimed
US-20140241990-A1 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2014-08-28 US disclosed
WO-2013049725-A2 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2013-04-04 WO disclosed
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 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-20140241990-A1 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885RORB 761/4885

“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.