SCHEMBL13428798

SCHEMBL13428798

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
P2RY12 Q9H244 13/20 0.43
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 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
SCHEMBL13428779 0.93 CYP1A2 (0.47) KDM4EMEN1GAAKMT2AL3MBTL1
SCHEMBL3222737 0.84 ALDH1A1 (0.52) KMT2AL3MBTL1P2RY12CYP2C9CYP2C19
SCHEMBL13428793 0.82 L3MBTL1 (0.44) KMT2AL3MBTL1P2RY12CYP2C9CYP2C19
SCHEMBL1179270 0.80 L3MBTL1 (0.46) KMT2AL3MBTL1P2RY12CYP2C9CYP2C19
SCHEMBL13428784 0.79 MAPT (0.43) MEN1KMT2AL3MBTL1P2RY12
SCHEMBL3224541 0.79 P2RY12 (0.48) KDM4EMEN1KMT2AL3MBTL1P2RY12
SCHEMBL13428783 0.78 P2RY12 (0.47) KDM4EMEN1KMT2AL3MBTL1P2RY12
SCHEMBL3220751 0.78 STK17B (0.50) KDM4EL3MBTL1P2RY12
SCHEMBL3227719 0.78 L3MBTL1 (0.47) L3MBTL1P2RY12CYP2C9CYP2C19
SCHEMBL3217492 0.78 P2RY12 (0.48) MEN1KMT2AL3MBTL1P2RY12

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 KDM4E 253/4885MEN1 2025/4885GAA 3435/4885

“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.