SCHEMBL641797

SCHEMBL641797

CCCN(CC)c1cccc(C(c2cc(C=Nn3nnnc3C)ccc2O)c2cc(C=Nn3nnnc3C)ccc2O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL641777 0.95 ALDH1A1 (0.45) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL6212488 0.94 KDM4E (0.40) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL6261168 0.93 GAA (0.39) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL6215039 0.93 KDM4E (0.39) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL6213810 0.92 KDM4E (0.38) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL6216883 0.91 ALDH1A1 (0.38) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL6504839 0.91 GAA (0.38) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL6216872 0.91 ALDH1A1 (0.38) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL642447 0.87 GAA (0.41) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL6215748 0.87 GAA (0.37) KDM4EHPGDALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-8119672-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-02-21 US disclosed
US-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES RYS DAVID J (US) 2011-12-15 US disclosed
US-20050288345-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. 2005-12-29 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 (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-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, PML KDM4E 4428/4885HPGD 1012/4885ALDH1A1 3369/4885
US-20050288345-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, PML KDM4E 4428/4885HPGD 1012/4885ALDH1A1 3369/4885

“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.