SCHEMBL13428585

SCHEMBL13428585

CC(C)OCCNc1ncc(/C=C/C(=O)O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GCK P35557 1/20 0.40
MET P08581 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 5/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
P2RX3 P56373 1/20 0.35
PYGL P06737 1/20 0.35
GPR6 P46095 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 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
SCHEMBL13428579 0.94 ALDH1A1 (0.42) ALDH1A1GCKMETCSNK2A2CSNK2B
SCHEMBL13429099 0.88 HDAC1 (0.40) ALDH1A1PYGL
SCHEMBL13428589 0.88 ALDH1A1 (0.46) ALDH1A1GCKMETRAB9AKDM4E
SCHEMBL13429123 0.83 HDAC1 (0.41) ALDH1A1RAB9AMAPK1MCHR1PYGL
SCHEMBL3225269 0.82 RAB9A (0.49) ALDH1A1RAB9AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL13428825 0.82 ALDH1A1 (0.51) ALDH1A1GCKMETRAB9AKDM4E
SCHEMBL3225286 0.82 RAB9A (0.49) ALDH1A1RAB9AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL13428501 0.82 POLB (0.37) ALDH1A1CSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL13428556 0.81 ALDH1A1 (0.46) ALDH1A1CSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL8179173 0.81 PIM1 (0.40) ALDH1A1GCKCSNK2A2CSNK2BCSNK2A1

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 ALDH1A1 1516/4885GCK 1346/4885MET 438/4885

“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.