SCHEMBL3227255

SCHEMBL3227255

O=C(/C=C/c1cnc(NCCOc2ccccc2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 3/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 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
SCHEMBL3227276 1.00 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AHDAC3HDAC4HDAC1
SCHEMBL8178639 0.98 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AHDAC3HDAC4HDAC1
SCHEMBL13428514 0.92 KMT2A (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8178636 0.88 TGFBR1 (0.37) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL13428532 0.87 MCHR1 (0.35) HDAC3HDAC6KMT2AMEN1CCNA2
SCHEMBL13428523 0.85 MCHR1 (0.37) SMN1; SMN2RAB9AKMT2AMEN1CCNA2
SCHEMBL13428566 0.84 CCNA2 (0.35) SMN1; SMN2RAB9AHDAC3HDAC1HDAC6
SCHEMBL13428522 0.83 CCNA2 (0.36) SMN1; SMN2RAB9AHDAC1KMT2AMEN1
SCHEMBL13428552 0.83 ALDH1A1 (0.37) SMN1; SMN2RAB9AHDAC3HDAC6KMT2A
SCHEMBL3223927 0.82 NPC1 (0.39) SMN1; SMN2RAB9AHDAC1KMT2ACCNA2

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 5 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
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
EP-2099756-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2009-09-16 EP disclosed
WO-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 WO 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 SMN1; SMN2 3352/4885RAB9A 4190/4885HDAC3 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.