SCHEMBL4139293

SCHEMBL4139293

O=C(N[C@H]1CCC[C@H]1O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2c1-c1ccoc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
HTR6 P50406 3/20 0.39
SERPINE1 P05121 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
KIT P10721 2/20 0.35
TP53 P04637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GSK3B P49841 3/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34

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
SCHEMBL4139291 1.00 CNR1 (0.41) CNR1HTR6SERPINE1ROCK2ROCK1
SCHEMBL4138419 0.90 SERPINE1 (0.45) CNR1HTR6SERPINE1ROCK2ROCK1
SCHEMBL4138421 0.90 SERPINE1 (0.45) CNR1HTR6SERPINE1ROCK2ROCK1
SCHEMBL4133870 0.88 CNR1 (0.41) CNR1HTR6SERPINE1KITTP53
SCHEMBL4133869 0.88 CNR1 (0.41) CNR1HTR6SERPINE1KITTP53
SCHEMBL4137985 0.88 HTR1A (0.37) HTR6SERPINE1HDAC3HDAC11HDAC8
SCHEMBL4137983 0.88 HTR1A (0.37) HTR6SERPINE1HDAC3HDAC11HDAC8
SCHEMBL4135797 0.87 CNR1 (0.39) CNR1HTR6SERPINE1ROCK2ROCK1
SCHEMBL4135800 0.87 CNR1 (0.39) CNR1HTR6SERPINE1ROCK2ROCK1
SCHEMBL4134009 0.87 CNR1 (0.41) CNR1HTR6SERPINE1KITTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US claimed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 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 (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-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY5, ADCY2 CNR1 1177/4885HTR6 1293/4885SERPINE1 2109/4885

“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.