SCHEMBL6038117

SCHEMBL6038117

O=C(COCc1ccc(F)cc1)NCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
PKM P14618 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL5285905 0.95 LMNA (0.48) MAPTPKMLMNASMN1; SMN2NPC1
SCHEMBL6038152 0.95 MAPT (0.49) MAPTPKMLMNAUSP2SMN1; SMN2
SCHEMBL5277128 0.92 LMNA (0.47) MAPTPKMLMNASMN1; SMN2NPC1
SCHEMBL5280994 0.92 LMNA (0.44) MAPTPKMLMNASMN1; SMN2NPC1
SCHEMBL5276612 0.90 MAPT (0.50) MAPTPKMLMNANPC1ALDH1A1
SCHEMBL5276893 0.90 LMNA (0.49) MAPTLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL6038385 0.87 ALDH1A1 (0.64) PKMALDH1A1POLBHDAC3HDAC4
SCHEMBL5288481 0.82 ALDH1A1 (0.53) PKMLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL6037905 0.82 HDAC1 (0.54) PKMLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL6037982 0.82 HDAC1 (0.50) MAPTPKMLMNASMN1; SMN2ALDH1A1

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 MAPT 3848/4885PKM 2287/4885LMNA 851/4885

“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.