SCHEMBL345316

SCHEMBL345316

O=[As](O)(O)c1ccc(Cc2ccc([As](=O)(O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
TP53 P04637 2/20 1.00
CYP2C9 P11712 1/20 1.00
HPGD P15428 1/20 1.00
ALOX15 P16050 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HSD17B10 Q99714 1/20 1.00
TASP1 Q9H6P5 1/20 1.00
TSHR P16473 2/20 0.54
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 1/20 0.54
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CYP2C19 P33261 3/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 3/20 0.45

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
SCHEMBL22999953 0.83 KDM4E (0.72) ALDH1A1TP53CYP2C9HPGDALOX15
SCHEMBL23000006 0.75 KDM4E (0.62) ALDH1A1TP53CYP2C9HPGDALOX15
SCHEMBL28803540 0.73 ALDH1A1 (0.57) ALDH1A1TP53CYP2C9HPGDALOX15
SCHEMBL3056859 0.72 MAPT (0.74) ALDH1A1TP53CYP2C9HPGDALOX15
Arsanilic Acid SCHEMBL160507 0.70 KDM4E (1.00) ALDH1A1TP53CYP2C9HPGDALOX15
SCHEMBL20916722 0.70 KDM4E (0.56) ALDH1A1TP53CYP2C9HPGDALOX15
SCHEMBL11078484 0.70 TSHR (0.56) ALDH1A1TP53CYP2C9HPGDALOX15
SCHEMBL20916723 0.70 KDM4E (0.56) ALDH1A1TP53CYP2C9HPGDALOX15
Arsanilic Acid SCHEMBL4837583 0.70 KDM4E (1.00) ALDH1A1TP53CYP2C9HPGDALOX15
SCHEMBL11034243 0.70 TSHR (0.56) ALDH1A1TP53CYP2C9HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4057813-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS New Life Crop Sciences LLC (US) 2022-09-21 EP claimed
WO-2021097410-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS NEW LIFE CROP SCIENCES LLC (US) 2021-05-20 WO claimed
US-20210144998-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS NEW LIFE CROP SCIENCES LLC 2021-05-20 US claimed
US-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 US claimed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 US claimed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US claimed
EP-2461806-A2 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2012-06-13 EP claimed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 US claimed
EP-4057813-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS New Life Crop Sciences LLC (US) 2022-09-21 EP disclosed
US-20210144998-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS NEW LIFE CROP SCIENCES LLC 2021-05-20 US disclosed
US-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 US disclosed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-8501811-B2 TASPASE1 inhibitors and their uses WASHINGTON UNIVERSITY (US) 2013-08-06 US disclosed
EP-2461806-A2 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2012-06-13 EP disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 US disclosed
US-20120015990-A1 TASPASE1 INHIBITORS AND THEIR USES THE WASHINGTON UNIVERSITY (US) 2012-01-19 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 (4 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-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR ALDH1A1 1615/4885TP53 356/4885CYP2C9 4864/4885
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR ALDH1A1 1615/4885TP53 356/4885CYP2C9 4864/4885
US-20210144998-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS PNPO, G6PD, AGXT ALDH1A1 2196/4885TP53 1665/4885CYP2C9 775/4885
US-20120015990-A1 TASPASE1 INHIBITORS AND THEIR USES RNASE1, TASP1, PPA1 ALDH1A1 3123/4885TP53 133/4885CYP2C9 4517/4885

“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.