SCHEMBL6469013

SCHEMBL6469013

CC1OC(n2cc(C(N)=O)c3c(N)ncnc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADK P55263 18/20 1.00
NPC1 O15118 1/20 0.58
GALR3 O60755 1/20 0.58
S1PR4 O95977 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
S1PR1 P21453 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
PAX8 Q06710 1/20 0.58
HASPIN Q8TF76 1/20 0.55

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
SCHEMBL26031830 0.85 ADK (0.73) ADKNPC1GALR3S1PR4ALDH1A1
Sangivamycin SCHEMBL29639760 0.84 NPC1 (0.82) ADKNPC1GALR3S1PR4ALDH1A1
Sangivamycin SCHEMBL14227089 0.84 NPC1 (0.82) ADKNPC1GALR3S1PR4ALDH1A1
Sangivamycin SCHEMBL10262607 0.84 NPC1 (0.82) ADKNPC1GALR3S1PR4ALDH1A1
Sangivamycin SCHEMBL15107357 0.84 NPC1 (0.82) ADKNPC1GALR3S1PR4ALDH1A1
Sangivamycin SCHEMBL12284269 0.84 NPC1 (0.82) ADKNPC1GALR3S1PR4ALDH1A1
Sangivamycin SCHEMBL2786660 0.84 NPC1 (0.82) ADKNPC1GALR3S1PR4ALDH1A1
Sangivamycin SCHEMBL13065171 0.84 NPC1 (0.82) ADKNPC1GALR3S1PR4ALDH1A1
Sangivamycin SCHEMBL195540 0.84 NPC1 (0.82) ADKNPC1GALR3S1PR4ALDH1A1
Sangivamycin SCHEMBL29897938 0.84 NPC1 (0.82) ADKNPC1GALR3S1PR4ALDH1A1

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-20050203063-A1 Proteasome pathway inhibitors and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-09-15 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-20050203063-A1 Proteasome pathway inhibitors and related methods PSME1, PSMC5, PSMB1 ADK 3161/4885NPC1 2879/4885GALR3 4559/4885

“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.