SCHEMBL13428546

SCHEMBL13428546

O=C(/C=C/c1cnc(NCC(=O)NCCc2ccc(F)cc2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 3/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
TAAR1 Q96RJ0 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL13428521 0.93 KDM4E (0.37) MAPTLMNAPOLBGAAHDAC1
SCHEMBL8182243 0.91 MAPT (0.38) MAPTLMNAPOLBGAAPKM
SCHEMBL13428496 0.85 NR1H4 (0.34) MAPTLMNAPOLBGAAL3MBTL1
SCHEMBL13428514 0.84 KMT2A (0.37) MAPTLMNAGAAPKMHTT
SCHEMBL8182903 0.84 KDM4E (0.37) MAPTLMNAPOLBGAAHDAC1
SCHEMBL13428499 0.82 P2RX3 (0.35) LMNAL3MBTL1KMT2ANPC1CYP1A2
SCHEMBL13429156 0.81 HDAC1 (0.52) MAPTLMNAGAAPKMHTT
SCHEMBL13428541 0.80 SSTR3 (0.35) MAPTLMNAKMT2ACCNA2CDK2
SCHEMBL4223490 0.80 MCHR1 (0.41) HDAC1HDAC6KMT2A
SCHEMBL4223498 0.80 MCHR1 (0.41) HDAC1HDAC6KMT2A

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 MAPT 3794/4885LMNA 1558/4885POLB 580/4885

“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.