SCHEMBL29973585

SCHEMBL29973585

O=c1[nH]c([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(I)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.36
CDA P32320 1/20 0.36
PNP P00491 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OGA O60502 2/20 0.33
HEXB P07686 1/20 0.33
UMPS P11172 1/20 0.32
TYMP P19971 3/20 0.32
TK2 O00142 2/20 0.32
PYGL P06737 1/20 0.32
TNF P01375 1/20 0.31
IL6 P05231 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
SCHEMBL15392688 1.00 PYGM (0.36) PYGMCDAPNPMEN1ALDH1A1
SCHEMBL31565646 0.87 PYGM (0.41) PYGMPNPUMPSPYGL
SCHEMBL30782692 0.84 CDA (0.36) PYGMCDAMEN1ALDH1A1MAPT
SCHEMBL10873399 0.73 UMPS (0.39) PYGMPNPMEN1ALDH1A1MAPT
SCHEMBL10873403 0.73 UMPS (0.39) PYGMPNPMEN1ALDH1A1MAPT
SCHEMBL767735 0.73 CDA (0.39) PYGMCDAPNPMEN1ALDH1A1
SCHEMBL773455 0.73 CDA (0.39) PYGMCDAPNPMEN1ALDH1A1
SCHEMBL15216151 0.73 CDA (0.39) PYGMCDAPNPMEN1ALDH1A1
SCHEMBL4300142 0.71 TK1 (0.44) SMN1; SMN2TK2
SCHEMBL30765013 0.70 PYGM (0.44) PYGMPNPALDH1A1HPGDUMPS

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-20220313697-A1 NEK6 Inhibition to Treat ALS and FTD KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2022-10-06 US disclosed
WO-2022199804-A1 NEK6 INHIBITION TO TREAT ALS AND FTD VIB VZW (BE) 2022-09-29 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 (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-20220313697-A1 NEK6 Inhibition to Treat ALS and FTD NEK6, NEK11, NEK9 PYGM 4268/4885CDA 2565/4885PNP 2188/4885

“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.