SCHEMBL12566838

SCHEMBL12566838

NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(I)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 1/20 0.62
▸ UBA6 A0AVT1 1/20 0.61
▸ ATG7 O95352 1/20 0.61
▸ UBA7 P41226 1/20 0.61
▸ NAE1 Q13564 1/20 0.61
▸ UBA3 Q8TBC4 1/20 0.61
▸ SAE1 Q9UBE0 1/20 0.61
▸ ADORA1 P30542 3/20 0.60
▸ LMNA P02545 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ GLA P06280 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ NPY1R P25929 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ NPY2R P49146 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ SLC29A1 Q99808 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60

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
SCHEMBL1794995 0.91 DNPH1 (0.62) DNPH1UBA6ATG7UBA7NAE1
SCHEMBL19991739 0.91 DNPH1 (0.62) DNPH1UBA6ATG7UBA7NAE1
SCHEMBL5272803 0.91 DNPH1 (0.62) DNPH1UBA6ATG7UBA7NAE1
SCHEMBL32662019 0.91 DNPH1 (0.75) DNPH1UBA6ATG7UBA7NAE1
SCHEMBL32662283 0.84 ADORA1 (0.66) UBA6ATG7UBA7NAE1UBA3
SCHEMBL23924540 0.83 DNPH1 (0.59) DNPH1UBA6ATG7UBA7NAE1
SCHEMBL29403562 0.83 DNPH1 (0.59) DNPH1UBA6ATG7UBA7NAE1
SCHEMBL30442836 0.83 DNPH1 (0.59) DNPH1UBA6ATG7UBA7NAE1
SCHEMBL23355143 0.83 DNPH1 (0.59) DNPH1UBA6ATG7UBA7NAE1
SCHEMBL32662093 0.82 ADORA1 (0.63) UBA6ATG7UBA7NAE1UBA3

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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — 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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 DNPH1 336/4885UBA6 728/4885ATG7 1114/4885

“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.

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