SCHEMBL4138419

SCHEMBL4138419

O=C(NC1CCCC1O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.45
CNR1 P21554 1/20 0.42
HTR6 P50406 3/20 0.40
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HCRTR1 O43613 2/20 0.36
SCN9A Q15858 1/20 0.36
ABL1 P00519 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NAMPT P43490 1/20 0.36
CHRM1 P11229 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 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
SCHEMBL4138421 1.00 SERPINE1 (0.45) SERPINE1CNR1HTR6MMP2MMP13
SCHEMBL4133869 0.91 CNR1 (0.41) SERPINE1CNR1HTR6DDB1CRBN
SCHEMBL4133870 0.91 CNR1 (0.41) SERPINE1CNR1HTR6DDB1CRBN
SCHEMBL4137805 0.90 CNR1 (0.40) CNR1HTR6HCRTR1SCN9ATP53
SCHEMBL4137808 0.90 CNR1 (0.40) CNR1HTR6HCRTR1SCN9ATP53
SCHEMBL4139291 0.90 CNR1 (0.41) SERPINE1CNR1HTR6DDB1CRBN
SCHEMBL4139293 0.90 CNR1 (0.41) SERPINE1CNR1HTR6DDB1CRBN
SCHEMBL3952175 0.90 FABP1 (0.39) SERPINE1CNR1HTR6MMP2MMP13
SCHEMBL4152162 0.90 FABP1 (0.39) SERPINE1CNR1HTR6MMP2MMP13
SCHEMBL4143597 0.88 CNR1 (0.39) SERPINE1CNR1HTR6DDB1CRBN

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 SERPINE1 2109/4885CNR1 1177/4885HTR6 1293/4885

“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.