SCHEMBL4152162

SCHEMBL4152162

O=C(NC1CCCC1O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.39
MAP2 P11137 1/20 0.39
SERPINE1 P05121 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HTR6 P50406 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
MMP2 P08253 2/20 0.38
MMP13 P45452 2/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
PIK3CA P42336 1/20 0.37
CNR1 P21554 4/20 0.37
EGLN1 Q9GZT9 1/20 0.36
POLB P06746 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL3952175 1.00 FABP1 (0.39) FABP1MAP2SERPINE1PTGDR2HTR6
SCHEMBL3955418 0.92 SERPINE1 (0.43) MAP2SERPINE1HTR6HTR1AHTR1D
SCHEMBL4137805 0.92 CNR1 (0.40) HTR6CNR1KIT
SCHEMBL3955415 0.92 SERPINE1 (0.43) MAP2SERPINE1HTR6HTR1AHTR1D
SCHEMBL4137808 0.92 CNR1 (0.40) HTR6CNR1KIT
SCHEMBL4138419 0.90 SERPINE1 (0.45) SERPINE1PTGDR2HTR6MMP2MMP13
SCHEMBL4138421 0.90 SERPINE1 (0.45) SERPINE1PTGDR2HTR6MMP2MMP13
SCHEMBL13906322 0.83 TRPV1 (0.40) HTR6EGLN1KIT
SCHEMBL3958387 0.82 SERPINE1 (0.49) FABP1MAP2SERPINE1PTGDR2HTR6
SCHEMBL4139174 0.82 ALDH1A1 (0.36) SERPINE1HTR6HTR1AHTR1DHTR1B

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 FABP1 4199/4885MAP2 3738/4885SERPINE1 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.