SCHEMBL5653713

SCHEMBL5653713

Cc1ccc(C#N)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3C)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 10/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
SLC6A7 Q99884 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
SCHEMBL5654070 0.83 GRM5 (0.45) SMOL3MBTL1HTTMMP1MMP3
SCHEMBL5654387 0.82 SMO (0.41) SMOL3MBTL1HTTMMP1MMP3
SCHEMBL5656800 0.80 SMO (0.44) SMOMMP1MMP3MMP7MMP9
SCHEMBL5652538 0.80 SMO (0.45) SMOL3MBTL1HTTMMP1MMP3
SCHEMBL5653175 0.80 SMO (0.45) SMOL3MBTL1MAPTMMP1MMP3
SCHEMBL5653521 0.79 SLC6A7 (0.47) SMOMMP1MMP3MMP7MMP9
SCHEMBL14366931 0.79 MMP8 (0.52) SMOMMP1MMP3MMP7MMP13
SCHEMBL5653667 0.78 GRM5 (0.46) SMOL3MBTL1HTTMMP1MMP3
SCHEMBL5656192 0.78 SMO (0.44) SMO
SCHEMBL5652388 0.78 SMO (0.50) SMOL3MBTL1HTTMMP13SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 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-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 SMO 3378/4885L3MBTL1 4497/4885MEN1 4582/4885

“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.