SCHEMBL3227150

SCHEMBL3227150

O=Cc1cnc(NCCNC(=O)O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 6/20 0.39
HTT P42858 3/20 0.39
HSP90AA1 P07900 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
XBP1 P17861 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
POLB P06746 2/20 0.38
PYGL P06737 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
JAK2 O60674 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
MC4R P32245 1/20 0.34
CCR6 P51684 1/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL13428487 0.81 STK17B (0.54) ALDH1A1L3MBTL1MAPTHTTHSP90AA1
SCHEMBL3233440 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTHTTHSP90AA1
SCHEMBL13428506 0.75 BPTF (0.42) L3MBTL1POLBRAB9AGAA
SCHEMBL13428483 0.75 CCNB2 (0.41) ALDH1A1L3MBTL1HTTHSP90AA1MEN1
SCHEMBL27791673 0.75 ALDH1A1 (0.37) ALDH1A1L3MBTL1HTTHSP90AA1MEN1
SCHEMBL3222922 0.74 PIK3CD (0.48) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13428501 0.73 POLB (0.37) ALDH1A1L3MBTL1MAPTHTTHSP90AA1
SCHEMBL13428465 0.73 TP53 (0.41) ALDH1A1PKM
SCHEMBL13428460 0.73 DRD4 (0.46) ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL13428825 0.72 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTHTTHSP90AA1

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
EP-2099756-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2009-09-16 EP disclosed
WO-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 ALDH1A1 1516/4885L3MBTL1 1127/4885MAPT 3794/4885

“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.