SCHEMBL20848252

SCHEMBL20848252

O=C1NCCCC1/N=C/c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSEN1 P49768 6/20 0.36
PSEN2 P49810 6/20 0.36
APH1B Q8WW43 6/20 0.36
NCSTN Q92542 6/20 0.36
APH1A Q96BI3 6/20 0.36
PSENEN Q9NZ42 6/20 0.36
DYRK3 O43781 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL20848255 0.85 GAA (0.41) POLBBCHEACHEBACE1ALDH1A1
SCHEMBL20848220 0.85 POLB (0.54) POLBBCHEACHEBACE1ALDH1A1
SCHEMBL4966437 0.85 POLB (0.54) POLBBCHEACHEBACE1ALDH1A1
SCHEMBL4966443 0.85 POLB (0.54) POLBBCHEACHEBACE1ALDH1A1
SCHEMBL8085823 0.81 POLB (0.50) POLBBCHEACHEBACE1ALDH1A1
SCHEMBL3988927 0.68 ACHE (0.59) BCHEACHEBACE1ALDH1A1KMT2A
SCHEMBL8210258 0.68 ACHE (0.59) BCHEACHEBACE1ALDH1A1KMT2A
SCHEMBL11839434 0.68 L3MBTL1 (0.56) POLBBCHEACHEBACE1ALDH1A1
SCHEMBL19233519 0.67 KMT2A (0.68) BCHEACHEBACE1ALDH1A1KMT2A
SCHEMBL26665489 0.66

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
EP-3634943-B1 METHOD FOR PREPARATION OF DIFLUOROMETHYLORNITHINE LONZA AG (CH) 2020-09-09 EP disclosed
US-20200148627-A1 METHOD FOR PREPARATION OF DIFLUOROMETHYLORNITHINE LONZA LTD (CH) 2020-05-14 US disclosed
WO-2019057951-A1 METHOD FOR PREPARATION OF DIFLUOROMETHYLORNITHINE LONZA LTD (CH) 2019-03-28 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-20200148627-A1 METHOD FOR PREPARATION OF DIFLUOROMETHYLORNITHINE SMYD3, MCM3, HLCS POLB 2441/4885BCHE 224/4885ACHE 3567/4885

“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.