SCHEMBL21164100

SCHEMBL21164100

NCCCNCCCCNCCCCCNC(=O)CCCCCNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.43
HDAC1 Q13547 6/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
NCOR2 Q9Y618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOX P28300 1/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
RAB9A P51151 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIN2B Q13224 1/20 0.40
CCKBR P32239 1/20 0.40

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
SCHEMBL12085545 0.99 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL5017241 0.92 LOX (0.45) SMN1; SMN2LOXGRIN1GRIN2AGRIA1
SCHEMBL14360459 0.86 KMT2A (0.41) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL23468556 0.86 RAB9A (0.41) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL12085679 0.82 ALDH1A1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL3611347 0.82 TSHR (0.43) SMN1; SMN2LOXGRIN1GRIN2AGRIN2B
SCHEMBL12951454 0.81 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL12085613 0.80 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL12085543 0.77 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL3547639 0.76 BCL2 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 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-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG HDAC3 2307/4885HDAC1 1754/4885HDAC2 2548/4885

“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.