SCHEMBL2113387

SCHEMBL2113387

CCCC(=O)Nc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.68
HDAC1 Q13547 3/20 0.68
HDAC2 Q92769 3/20 0.68
TP53 P04637 2/20 0.60
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
EGFR P00533 4/20 0.54
ERBB2 P04626 4/20 0.54
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51

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
SCHEMBL28149475 0.88 HDAC6 (0.78) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL28142485 0.88 HDAC6 (0.78) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL28147367 0.87 HDAC6 (0.62) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL15101317 0.84 HDAC1 (0.56) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL21311906 0.83 TP53 (0.72) HDAC6HDAC1HDAC2TP53CA12
SCHEMBL15093074 0.83 HDAC6 (0.59) HDAC6HDAC1HDAC2TP53CA12
SCHEMBL17277182 0.82 HDAC6 (0.61) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL28286802 0.82 HDAC6 (0.97) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL17277184 0.81 HDAC6 (0.63) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL15101642 0.81 HDAC6 (0.59) HDAC6HDAC1HDAC2CA12CA1

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-8552176-B2 Glycosylated chlorambucil analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-08 US disclosed
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-19 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-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF CD22, UGGT1, UGCG HDAC6 289/4885HDAC1 784/4885HDAC2 771/4885

“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.