SCHEMBL4044386

SCHEMBL4044386

NC(=O)c1ccsc1C[CH]C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
PARP1 P09874 2/20 0.37
PARP2 Q9UGN5 2/20 0.37
TNKS O95271 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
PAX8 Q06710 2/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
KCNH2 Q12809 1/20 0.31
ADRA1D P25100 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
CXCR3 P49682 1/20 0.30
VNN1 O95497 1/20 0.30

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
SCHEMBL4044301 0.85 MAPK8 (0.36) MAPK8PARP1PARP2ALDH1A1
SCHEMBL4041297 0.82 KDM4E (0.36) MAPK8PARP1PARP2KDM4EALDH1A1
SCHEMBL4039942 0.81 PARP1 (0.38) PARP1PARP2TNKSPARP4PARP3
SCHEMBL4043899 0.81 PAX8 (0.36) PARP1PARP2TNKSPARP4PARP3
SCHEMBL4041690 0.81 KMT2A (0.32) MAPK8PARP1PARP2
SCHEMBL4042763 0.80 L3MBTL1 (0.33) PARP1ADRA1D
SCHEMBL4040339 0.80 TNKS (0.39) PARP1PARP2TNKSPARP4PARP3
SCHEMBL4040851 0.79 PAX8 (0.37) PARP1PARP2TNKSPARP4PARP3
SCHEMBL4044638 0.79 PAX8 (0.37) PARP1PARP2TNKSPARP4PARP3
SCHEMBL6210597 0.76 PARP1 (0.40) PARP1PARP2TNKSPARP4PARP3

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
EP-1648445-B1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS MAPK8 1235/4885PARP1 4400/4885PARP2 4534/4885

“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.