SCHEMBL13428584

SCHEMBL13428584

O=C(O)/C=C/c1cnc(NCCCOc2ccccc2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL3225286 0.97 RAB9A (0.49) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL3225269 0.97 RAB9A (0.49) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL13429130 0.90 HDAC8 (0.58) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL13429097 0.87 HDAC1 (0.59) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL13428582 0.87 KMT2A (0.48) RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8171035 0.86 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3227377 0.86 HDAC1 (0.58) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3227393 0.86 HDAC1 (0.58) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL13428460 0.84 DRD4 (0.46) RAB9AALDH1A1KDM4ENPC1L3MBTL1
SCHEMBL13428579 0.83 ALDH1A1 (0.42) RAB9AALDH1A1KDM4ENPC1PIM1

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 RAB9A 4190/4885SMN1; SMN2 3352/4885HDAC3 4/4885

“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.