SCHEMBL13428556

SCHEMBL13428556

CN(C)CCNc1ncc(/C=C/C(=O)O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
PIM2 Q9P1W9 2/20 0.43
RAB9A P51151 1/20 0.39
FLT3 P36888 4/20 0.38
CSNK2A1 P68400 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
BPTF Q12830 1/20 0.37
P4HTM Q9NXG6 1/20 0.37

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
SCHEMBL13429111 0.88 HDAC6 (0.44) ALDH1A1
SCHEMBL13428589 0.82 ALDH1A1 (0.46) ALDH1A1PIM2RAB9AP4HTM
Hydrochloric Acid SCHEMBL3227374 0.82 ALDH1A1 (0.47) ALDH1A1PIM2RAB9AP4HTM
Hydrochloric Acid SCHEMBL3227383 0.82 ALDH1A1 (0.47) ALDH1A1PIM2RAB9AP4HTM
SCHEMBL13428506 0.81 BPTF (0.42) RAB9AFLT3CSNK2A1CSNK2A2CSNK2B
SCHEMBL13429117 0.81 HDAC6 (0.42) ALDH1A1PIM2FLT3
SCHEMBL13428585 0.81 ALDH1A1 (0.44) ALDH1A1PIM2RAB9ACSNK2A1CSNK2A2
SCHEMBL13428825 0.80 ALDH1A1 (0.51) ALDH1A1PIM2RAB9AP4HTM
SCHEMBL13428579 0.78 ALDH1A1 (0.42) ALDH1A1PIM2RAB9ACSNK2A1CSNK2A2
SCHEMBL3225269 0.77 RAB9A (0.49) ALDH1A1RAB9A

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 1516/4885PIM2 4195/4885RAB9A 4190/4885

“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.