SCHEMBL7367100

SCHEMBL7367100

O=C(Cl)CCCCCCSc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.66
HDAC2 Q92769 3/20 0.66
HDAC3 O15379 2/20 0.66
HDAC4 P56524 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66
ALDH1A1 P00352 6/20 0.62
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.46
FFAR1 O14842 1/20 0.46
RAB9A P51151 6/20 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
SCHEMBL2726129 0.98 ALDH1A1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8160357 0.93 ALDH1A1 (0.72) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8088391 0.85 ALDH1A1 (0.85) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5081086 0.85 ALDH1A1 (0.85) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7820281 0.85 ALDH1A1 (0.85) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3943933 0.85 ALDH1A1 (0.85) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL710248 0.85 ALDH1A1 (0.85) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29033930 0.85 ALDH1A1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2351099 0.83 ALDH1A1 (0.89) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7364516 0.82 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO 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 (2 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 HDAC1 1/4885HDAC2 7/4885HDAC3 6/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC2 4/4885HDAC3 3/4885

“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.