SCHEMBL1027274

SCHEMBL1027274

O=P(O)(Cl)Oc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
OGG1 O15527 1/20 0.45
HSD17B10 Q99714 3/20 0.45
GAA P10253 2/20 0.45
PGR P06401 1/20 0.45
PTGS1 P23219 1/20 0.45
MAPK1 P28482 1/20 0.45
ACP3 P15309 1/20 0.44
BTN3A1 O00481 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
PTK2B Q14289 1/20 0.43
INPPL1 O15357 1/20 0.41
INPP5B P32019 1/20 0.41

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
SCHEMBL29510856 0.85 HTT (0.50) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL1027272 0.85 HTT (0.50) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL719618 0.85 HTT (0.50) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL60472 0.85 INPPL1 (0.59) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL547016 0.85 L3MBTL1 (0.50) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL29618036 0.85 INPPL1 (0.59) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL29175021 0.83 HTT (0.49) HTTALDH1A1KDM4EHPGDTDP1
Potassium SCHEMBL30820065 0.83 INPPL1 (0.57) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL2544707 0.83 INPPL1 (0.57) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL11322823 0.83 INPPL1 (0.57) HTTALDH1A1KDM4EHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037077-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-02-09 US disclosed
US-20170037077-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-02-09 US disclosed
CN-105753900-A Synthesis method of aromatic amide phosphate compound and flame retardant containing compound 和夏化学(太仓)有限公司 2016-07-13 CN disclosed
US-8946243-B2 Compounds and methods for the treatment of viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-02-03 US disclosed
US-20110184003-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY TH (US) 2011-07-28 US disclosed
EP-2274311-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION Government of the United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2011-01-19 EP disclosed
WO-2009142827-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-11-26 WO 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 (2 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-20170037077-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 HTT 2179/4885ALDH1A1 1431/4885KDM4E 3890/4885
US-20110184003-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION TPMT, TYMP, MTAP HTT 4287/4885ALDH1A1 877/4885KDM4E 1894/4885

“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.