SCHEMBL7070931

SCHEMBL7070931

Nc1nnnn1N=Cc1ccc(C(c2ccccc2)c2ccc(C=Nn3nnnc3N)cc2O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 6/20 0.56
HPGD P15428 2/20 0.56
GFER P55789 1/20 0.56
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PABPC1 P11940 1/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46
CASP1 P29466 1/20 0.44

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
SCHEMBL7068147 0.78 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL7070861 0.77 ALDH1A1 (0.45) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL10106495 0.77 GAA (0.45) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL11887839 0.76 TDP1 (0.71) ALDH1A1KDM4EHPGDGFERTDP1
SCHEMBL7067443 0.75 ALDH1A1 (0.45) ALDH1A1GAAKDM4EHPGDGFER
Vp-14637 SCHEMBL16743389 0.68 GAA (0.45) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL642652 0.68 GAA (0.43) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL13779303 0.68 TDP1 (1.00) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL642282 0.68 GAA (0.42) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL644706 0.68 GAA (0.42) ALDH1A1GAAKDM4EHPGDGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases NITZ THEODORE J (US) 2003-05-15 US claimed

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-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, PML ALDH1A1 3369/4885GAA 1534/4885KDM4E 4428/4885

“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.