SCHEMBL180430

SCHEMBL180430

[O]C(=O)c1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.65
ALDH1A1 P00352 2/20 0.62
TP53 P04637 1/20 0.62
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
C1S P09871 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL3 Q96JM7 2/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
BCHE P06276 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL241785 0.83 PARP1 (0.68) PARP1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL30153175 0.83 PARP1 (0.68) PARP1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL6670439 0.83 PARP1 (0.68) PARP1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL8681033 0.81 PARP1 (0.65) PARP1ALDH1A1TP53HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL27869733 0.81 PARP1 (0.65) PARP1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL29537403 0.81 PARP1 (0.65) PARP1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL5023 0.81 PARP1 (0.65) PARP1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL23079025 0.79 PARP1 (0.69) PARP1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL9586434 0.79 PARP1 (0.63) PARP1ALDH1A1TP53HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL698593 0.79 PARP1 (0.63) PARP1ALDH1A1TP53HPGDSMN1; SMN2

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US claimed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 EP claimed
US-20100179217-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-07-15 US claimed
US-7728001-B2 Opioid receptor ligands and methods for their preparation UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-06-01 US claimed
US-20090088466-A1 OPIOID RECEPTOR LIGANDS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-04-02 US claimed
WO-2008055261-A2 THERAPEUTIC COMPOUNDS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2008-05-08 WO claimed
WO-2006138589-A2 OPIOID RECEPTOR LIGANDS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2006-12-28 WO claimed
WO-2006031782-A2 SALVINORIN DERIVATIVES AS OPIOID RECEPTOR LIGANDS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2006-03-23 WO claimed
US-20060058264-A1 Opioid receptor ligands and methods for their preparation THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2006-03-16 US claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis LIPOSCIENCES, LLC (US) 2018-07-17 US disclosed
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2017-08-10 US disclosed
EP-3067359-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Petersen, Scott G. (US) 2016-09-14 EP disclosed
US-9428494-B2 Therapeutic compounds UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-08-30 US disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
EP-0379174-A2 2,3-Dihydro-3,3-dimethyl-5-trifluoromethanesulfonyloxybenzofurans, process for producing them and herbicides containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-07-25 EP disclosed
US-4591459-A Intermediates for 6-(aminoacyloxymethyl) penicillanic acid 1,1-dioxides PFIZER INC. (US) 1986-05-27 US disclosed
US-4503040-A 6-(Aminoacyloxymethyl)penicillanic acid 1,1-dioxides as beta-lactamase inhibitors PFIZER INC. (US) 1985-03-05 US disclosed
US-4452796-A ANTIBIOTICS PFIZER INC. (US) 1984-06-05 US disclosed
US-3936462-A CNS DEPRESSANT, ANALGESIC STERLING DRUG INC. (US) 1976-02-03 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 (6 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-20100179217-A1 THERAPEUTIC COMPOUNDS OPRL1, OPRK1, OPRM1 PARP1 4643/4885ALDH1A1 689/4885TP53 4851/4885
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis NCL, PHOSPHO1, POLN PARP1 411/4885ALDH1A1 4411/4885TP53 1169/4885
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity ACAT2, ACAT1, AGPAT2 PARP1 4377/4885ALDH1A1 1202/4885TP53 2452/4885
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL PARP1 218/4885ALDH1A1 4308/4885TP53 433/4885
US-20090088466-A1 OPIOID RECEPTOR LIGANDS OPRL1, OPRK1, OPRM1 PARP1 4804/4885ALDH1A1 769/4885TP53 4868/4885
US-20060058264-A1 Opioid receptor ligands and methods for their preparation OPRL1, OPRM1, OPRK1 PARP1 4660/4885ALDH1A1 703/4885TP53 4874/4885

“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.