SCHEMBL13429153

SCHEMBL13429153

O=C(/C=C/c1cnc(NCC(=O)NC2CCCCC2)c(Cl)c1)NO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
HDAC3 O15379 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
CDK9 P50750 1/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAOB P27338 1/20 0.38
MITF O75030 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL13428568 0.89 HPGD (0.40) KMT2ANPC1RAB9AHPGDLMNA
SCHEMBL8181631 0.88 CYP1A2 (0.45) CYP1A2HDAC3HDAC6KMT2ANPC1
SCHEMBL13428482 0.85 LMNA (0.45) CYP1A2KMT2ANPC1RAB9AHPGD
SCHEMBL13428499 0.83 P2RX3 (0.35) CYP1A2KMT2ANPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL4225184 0.82 HDAC6 (0.43) CYP1A2HDAC3HDAC6CDK9KMT2A
Hydrochloric Acid SCHEMBL4225179 0.82 HDAC6 (0.43) CYP1A2HDAC3HDAC6CDK9KMT2A
SCHEMBL13429157 0.81 ALDH1A1 (0.44) HDAC3HDAC6CDK9KMT2ANPC1
SCHEMBL13429134 0.78 HDAC1 (0.42) HDAC3HDAC6CDK9NPC1RAB9A
SCHEMBL13428467 0.78 POLB (0.44) KMT2ANPC1RAB9AHPGDLMNA
SCHEMBL8180754 0.77 LMNA (0.39) CYP1A2KMT2ANPC1LMNASMN1; SMN2

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 CYP1A2 1829/4885HDAC3 4/4885HDAC6 29/4885

“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.