SCHEMBL641777

SCHEMBL641777

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
KDM4E B2RXH2 9/20 0.45
HPGD P15428 6/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
CASP1 P29466 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CASP7 P55210 2/20 0.45
HTT P42858 2/20 0.45
GAA P10253 3/20 0.43
GFER P55789 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL641797 0.95 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6212488 0.94 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6215039 0.92 KDM4E (0.39) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6213810 0.92 KDM4E (0.38) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6216872 0.91 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6216883 0.91 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL642447 0.90 GAA (0.41) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6261168 0.90 GAA (0.39) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL641652 0.90 GAA (0.40) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6214854 0.89 GAA (0.38) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2

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 12 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 claimed
US-8119672-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-02-21 US claimed
US-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES RYS DAVID J (US) 2011-12-15 US claimed
US-20050288345-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. 2005-12-29 US claimed
EP-1539691-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-06-15 EP claimed
WO-2004014317-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-02-19 WO claimed
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
EP-1539691-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-06-15 EP disclosed
WO-2004014317-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-02-19 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-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, PML ALDH1A1 3369/4885KDM4E 4428/4885HPGD 1012/4885
US-20050288345-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, PML ALDH1A1 3369/4885KDM4E 4428/4885HPGD 1012/4885

“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.