SCHEMBL383843

SCHEMBL383843

Nc1ncc2ncn(O[PH](=O)On3cnc4cnc(N)nc43)c2n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ADRA1A P35348 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC6 Q9UBN7 2/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MET P08581 1/20 0.30

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
SCHEMBL27641128 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL28123586 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL20305131 0.75 HDAC6 (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL20305077 0.75 HDAC6 (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL27794195 0.72 KDM4E (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9182449 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL27944268 0.72 HSP90AA1 (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL3290197 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9185978 0.71 KDM4E (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10469883 0.71 KDM4E (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318700-B2 Lung-targeted drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-20120122818-A1 LUNG-TARGETED DRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 US disclosed
US-8101745-B2 Conjugate cidofovir, idoxuridine, vidarabine, trifluridine, acyclovir, famciclovir penciclovir, valacyclovir, ganciclovir, antiviral, antimicrobial, cancer drug of interest to glycerol ethers or glycerol phosphate ethers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-24 US disclosed
US-20080221061-A1 Lung-Targeted Drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 US disclosed
US-5877166-A HERPES VIRUS SRI INTERNATIONAL (US) 1999-03-02 US disclosed
WO-1997041133-A1 ENANTIOMERICALLY PURE 2-AMINOPURINE PHOSPHONATE NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1997-11-06 WO disclosed
WO-1997041133-A1 ENANTIOMERICALLY PURE 2-AMINOPURINE PHOSPHONATE NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1997-11-06 WO disclosed
WO-1997041133-A1 ENANTIOMERICALLY PURE 2-AMINOPURINE PHOSPHONATE NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1997-11-06 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-20080221061-A1 Lung-Targeted Drugs DGKG, GK, PHOSPHO1 KDM4E 1694/4885ALDH1A1 4007/4885HPGD 1715/4885
US-20120122818-A1 LUNG-TARGETED DRUGS DGKG, GK, PHOSPHO1 KDM4E 1694/4885ALDH1A1 4007/4885HPGD 1715/4885

“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.