SCHEMBL4090650

SCHEMBL4090650

Nc1sc(-c2ccccc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.77
CNR2 P34972 3/20 0.58
GRM6 O15303 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SRD5A2 P31213 1/20 0.46
ADORA2A P29274 7/20 0.46
ADORA2B P29275 7/20 0.46
ADORA3 P0DMS8 4/20 0.46
CNR1 P21554 1/20 0.45
RORB Q92753 2/20 0.44

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
SCHEMBL4086503 0.96 ADORA1 (0.72) ADORA1CNR2GRM6MAPTMEN1
SCHEMBL4078131 0.93 ADORA1 (0.68) ADORA1CNR2GRM6MAPTMEN1
SCHEMBL3974619 0.92 ADORA1 (0.67) ADORA1CNR2GRM6MAPTMEN1
SCHEMBL4076833 0.92 ADORA1 (0.66) ADORA1CNR2GRM6MAPTMEN1
SCHEMBL3976892 0.91 ADORA1 (0.68) ADORA1CNR2GRM6MAPTMEN1
SCHEMBL4091366 0.87 ADORA1 (1.00) ADORA1CNR2GRM6MAPTMEN1
SCHEMBL4080808 0.87 ADORA1 (0.75) ADORA1CNR2GRM6MAPTMEN1
SCHEMBL3980249 0.82 GRM6 (0.73) ADORA1GRM6MAPTMEN1ALDH1A1
SCHEMBL3980569 0.77 ADORA1 (0.61) ADORA1CNR2MAPTMEN1ALDH1A1
SCHEMBL3981712 0.76 GRM6 (0.57) ADORA1GRM6MAPTMEN1ALDH1A1

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 2/4885CNR2 66/4885GRM6 138/4885

“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.