SCHEMBL5500784

SCHEMBL5500784

NC(=O)c1cccc(OCCCl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.57
PRSS1 P07477 9/20 0.54
PARP10 Q53GL7 2/20 0.54
TNKS O95271 1/20 0.54
PARP15 Q460N3 1/20 0.54
PARP14 Q460N5 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
PARP2 Q9UGN5 1/20 0.54
KMT2A Q03164 1/20 0.51
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PRSS2 P07478 1/20 0.50
C1S P09871 1/20 0.50
PRSS3 P35030 1/20 0.50
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
F10 P00742 2/20 0.48

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
SCHEMBL3072792 0.93 PRSS1 (0.58) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL1789489 0.91 FAAH (0.50) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL27816266 0.86 PARP1 (0.61) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL30938280 0.85 PARP1 (0.59) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL5499950 0.85 KMT2A (0.53) PRSS1KMT2AF2PLGPRSS2
SCHEMBL4326927 0.85 PARP1 (0.59) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL19732841 0.85 PARP1 (0.59) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL1436453 0.83 MAOB (0.60) KMT2A
SCHEMBL203431 0.83 PRSS1 (0.67) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL29686682 0.83 PRSS1 (0.58) PARP1PRSS1PARP10TNKSPARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP disclosed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO disclosed
US-20060111355-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-05-25 US disclosed
CN-1019801-B Antiarrhythmic and preparation method thereof PFIZER LTD (GB) 1992-12-30 CN disclosed
EP-0245997-B1 N-SUBSTITUTED P-AMINOETHYLSULPHON ANILIDES AS ANTIARRHYTHMIC AGENTS, AND INTERMEDIATES THEREFOR Pfizer Limited (GB) 1992-04-15 EP disclosed
US-5079248-A Antifibrillatory agents; side effect reduction PFIZER INC. (US) 1992-01-07 US disclosed
US-4959366-A Anti-arrhythmic agents PFIZER INC. (US) 1990-09-25 US disclosed
EP-0245997-A2 N-substituted p-aminoethylsulphon anilides as antiarrhythmic agents, and intermediates therefor Pfizer Limited (GB) 1987-11-19 EP disclosed
CN-87103300-A Antiarrhythmic and preparation method thereof 1987-11-11 CN 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-20060111355-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, LHCGR, GHRHR PARP1 3548/4885PRSS1 1601/4885PARP10 1146/4885

“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.