SCHEMBL14667471

SCHEMBL14667471

Nc1cccc(NC(=O)CSCCCOC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ DDX3X O00571 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP1A2 P05177 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
SCHEMBL14667464 0.88 HPGD (0.51) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL14667445 0.84 USP2 (0.45) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL14667444 0.84 ALOX15 (0.45) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL14667524 0.83 ALDH1A1 (0.39) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL14667531 0.82 ALDH1A1 (0.41) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL14667390 0.82 DDX3X (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14667495 0.81 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14667476 0.81 ALDH1A1 (0.44) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL14667523 0.81 ALDH1A1 (0.37) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL14667492 0.80 ALDH1A1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2

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-8802448-B2 Mixed mode ligands PALL CORPORATION (US) 2014-08-12 — — US disclosed
US-20130030154-A1 MIXED MODE LIGANDS PALL CORPORATION (US) 2013-01-31 — — 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-20130030154-A1 MIXED MODE LIGANDS NCL, NECTIN4, NCLN HDAC3 1717/4885HDAC4 1743/4885HDAC1 1112/4885

“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.

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