SCHEMBL202108

SCHEMBL202108

CCC=CCCC=CCOc1cccc(C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.51
PARP10 Q53GL7 2/20 0.46
TNKS O95271 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
TTK P33981 1/20 0.40
MAPK8 P45983 1/20 0.40
F10 P00742 1/20 0.39
PRSS1 P07477 2/20 0.39
OPRK1 P41145 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMPD1 P17405 1/20 0.39

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
SCHEMBL202107 1.00 PARP1 (0.51) PARP1PARP10TNKSPARP15PARP14
SCHEMBL12434150 0.86 PARP1 (0.48) PARP1PARP10TNKSPARP15PARP14
SCHEMBL201462 0.86 FAAH (0.59) PARP1KMT2AFAAHCYSLTR2CYSLTR1
SCHEMBL201514 0.86 FAAH (0.59) PARP1KMT2AFAAHCYSLTR2CYSLTR1
SCHEMBL201463 0.86 FAAH (0.59) PARP1KMT2AFAAHCYSLTR2CYSLTR1
SCHEMBL202205 0.85 KMT2A (0.52) PARP1KMT2AFAAHPRSS1SMPD1
SCHEMBL202206 0.85 KMT2A (0.52) PARP1KMT2AFAAHPRSS1SMPD1
SCHEMBL203772 0.84 PRSS1 (0.52) PARP1KMT2AFAAHPRSS1SMPD1
SCHEMBL203771 0.84 PRSS1 (0.52) PARP1KMT2AFAAHPRSS1SMPD1
SCHEMBL23748624 0.83 KMT2A (0.63) KMT2ACYSLTR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 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 (5 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 PARP1 1024/4885PARP10 2702/4885TNKS 3159/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PARP1 1034/4885PARP10 3006/4885TNKS 4063/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 PARP1 1040/4885PARP10 2725/4885TNKS 2834/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PARP1 1034/4885PARP10 3006/4885TNKS 4063/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PARP1 1034/4885PARP10 3006/4885TNKS 4063/4885

“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.