SCHEMBL1027272

SCHEMBL1027272

O=P(Cl)(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OGG1 O15527 1/20 0.44
HSD17B10 Q99714 3/20 0.43
PGR P06401 1/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR1B P28222 3/20 0.43
BTN3A1 O00481 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNA3 P22001 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL11791487 0.91 LMNA (0.51) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL11792605 0.91 KCNA3 (0.46) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL29510856 0.88 HTT (0.50) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL719618 0.88 HTT (0.50) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL1027274 0.85 HTT (0.48) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL263618 0.83 HTT (0.53) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL29613147 0.83 HTT (0.53) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL17333428 0.82 HTT (0.51) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL7768580 0.82 HTT (0.51) HTTALDH1A1KDM4EHPGDTDP1
SCHEMBL722174 0.81 HTT (0.49) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4144290-A Production of bromoaryl chlorophosphates BAYER AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-3965220-A AMINE CATALYST MONSANTO COMPANY (US) 1976-06-22 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 (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-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.