SCHEMBL13428779

SCHEMBL13428779

CCOC(=O)c1cnc(NCCCN(C)C)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
RAD52 P43351 1/20 0.45
UHRF1 Q96T88 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
P2RY12 Q9H244 8/20 0.42
LMNA P02545 2/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40
NTSR1 P30989 1/20 0.40

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
SCHEMBL13428798 0.93 KDM4E (0.51) KMT2APOLBRAD52KDM4EGAA
SCHEMBL3222737 0.82 ALDH1A1 (0.52) KMT2AL3MBTL1P2RY12ALDH1A1RAB9A
SCHEMBL13428784 0.82 MAPT (0.43) KMT2AMEN1L3MBTL1P2RY12MAPK1
SCHEMBL13428783 0.81 P2RY12 (0.47) KMT2APOLBKDM4EMEN1L3MBTL1
SCHEMBL13428793 0.80 L3MBTL1 (0.44) KMT2AL3MBTL1P2RY12ALDH1A1
SCHEMBL1179270 0.78 L3MBTL1 (0.46) KMT2AL3MBTL1P2RY12RAB9APKM
SCHEMBL3224541 0.77 P2RY12 (0.48) KMT2APOLBKDM4EMEN1L3MBTL1
SCHEMBL3220751 0.76 STK17B (0.50) KDM4EL3MBTL1P2RY12ALDH1A1
SCHEMBL13428465 0.76 TP53 (0.41) ALDH1A1PKM
SCHEMBL3227719 0.76 L3MBTL1 (0.47) L3MBTL1P2RY12PKM

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 CYP1A2 1829/4885KMT2A 31/4885POLB 580/4885

“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.