SCHEMBL2622465

SCHEMBL2622465

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(O)cccc2I)n1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL987879 0.84 ALDH1A1 (0.46) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL29360781 0.84 ALDH1A1 (0.46) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL29489600 0.84 ALDH1A1 (0.46) GAAALDH1A1KDM4ENPC1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2895237 0.83 ALDH1A1 (0.45) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL2892703 0.83 ALDH1A1 (0.48) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL2893387 0.83 ALDH1A1 (0.45) GAAALDH1A1KDM4ENPC1SMN1; SMN2
Potassium SCHEMBL2892705 0.83 ALDH1A1 (0.45) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL2892748 0.83 ALDH1A1 (0.45) GAAALDH1A1KDM4ENPC1SMN1; SMN2
Lithium SCHEMBL2893392 0.83 ALDH1A1 (0.45) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL2892755 0.83 ALDH1A1 (0.45) GAAALDH1A1KDM4ENPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 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 (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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 GAA 166/4885ALDH1A1 1469/4885KDM4E 2299/4885

“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.