SCHEMBL642652

SCHEMBL642652

Cc1cccc(C(c2cc(C=Nn3nnnc3C)ccc2O)c2cc(C=Nn3nnnc3C)ccc2O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 4/20 0.43
GFER P55789 1/20 0.43
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PABPC1 P11940 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
AMY1A P0DUB6 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL644706 0.91 GAA (0.42) GAAKDM4EHPGDGFERCYP1A2
SCHEMBL642282 0.91 GAA (0.42) GAAKDM4EHPGDGFERCYP1A2
SCHEMBL10106495 0.90 GAA (0.45) GAAKDM4EHPGDGFERCYP1A2
SCHEMBL642797 0.90 GAA (0.41) GAAKDM4EHPGDGFERCYP1A2
SCHEMBL643778 0.90 GAA (0.41) GAAKDM4EHPGDGFERCYP1A2
SCHEMBL642075 0.88 GAA (0.45) GAAKDM4EHPGDGFERCYP1A2
SCHEMBL643579 0.88 GAA (0.40) GAAKDM4EHPGDGFERCYP1A2
SCHEMBL643030 0.88 KDM4E (0.51) GAAKDM4EHPGDGFERALDH1A1
SCHEMBL641652 0.88 GAA (0.40) GAAKDM4EHPGDGFERCYP1A2
SCHEMBL643211 0.88 KDM4E (0.42) GAAKDM4EHPGDGFERCYP1A2

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 11 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-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 GAA 1534/4885KDM4E 4428/4885HPGD 1012/4885
US-20050288345-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, PML GAA 1534/4885KDM4E 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.