SCHEMBL7112445

SCHEMBL7112445

COc1[c]noc1-c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.36
DYRK1A Q13627 1/20 0.33
NPC1 O15118 4/20 0.32
PKM P14618 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSP90AA1 P07900 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM5 P41594 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7453259 0.67 CLK4 (0.40) CLK4DYRK1ANPC1PKMRAB9A
SCHEMBL7111056 0.64 CLK4 (0.37) CLK4DYRK1A
SCHEMBL7454671 0.64 CLK4 (0.37) CLK4DYRK1A
SCHEMBL7112441 0.63 CLK4 (0.36) CLK4DYRK1A
SCHEMBL7111873 0.63 CLK4 (0.36) CLK4DYRK1A
SCHEMBL7450197 0.56 KDM4E (0.42) NPC1PKMRAB9ASMN1; SMN2HSP90AA1
SCHEMBL13910997 0.56 CLK4 (0.42) CLK4DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL171853 0.55 HDAC8 (0.47) CLK4DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL153025 0.55
SCHEMBL6218508 0.55 KDM4E (0.30) KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 CLK4 4518/4885DYRK1A 4574/4885NPC1 3537/4885

“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.