SCHEMBL4043502

SCHEMBL4043502

NC1(C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
PAX8 Q06710 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
NAMPT P43490 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
IDH1 O75874 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NAPRT Q6XQN6 1/20 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
SCHEMBL4043495 0.89 PARP1 (0.38) TNKSPARP1PARP2PARP4PARP3
SCHEMBL4046440 0.83 FKBP1A (0.40) NAMPT
SCHEMBL4037440 0.80 GPR132 (0.43) HRH3NAMPTSIGMAR1MAPTKDM4E
SCHEMBL6210597 0.80 PARP1 (0.40) TNKSPARP1PARP2PARP4PARP3
SCHEMBL4037636 0.80 CTSK (0.42) NAMPTFNTAFNTBMEN1KMT2A
SCHEMBL4047936 0.79 C3AR1 (0.39) TNKSPARP1PARP2PARP4PARP3
SCHEMBL4048157 0.79 HPGD (0.43) NAMPTALDH1A1MAPTKDM4E
SCHEMBL4040341 0.78 PAX8 (0.42) TNKSPARP1PARP2PARP4PARP3
SCHEMBL4047662 0.78 CTSK (0.41) TNKSPARP1PARP2PARP4PARP3
SCHEMBL4039940 0.78 PARP1 (0.39) TNKSPARP1PARP2PARP4PARP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
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 TNKS 4485/4885PARP1 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.