SCHEMBL2117009

SCHEMBL2117009

NNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.77
ALDH1A1 P00352 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HIF1A Q16665 3/20 0.69
LMNA P02545 3/20 0.69
MAPT P10636 2/20 0.69
NFKB1 P19838 2/20 0.69
THPO P40225 2/20 0.69
PMP22 Q01453 2/20 0.69
GMNN O75496 1/20 0.69
CYP2D6 P10635 1/20 0.69
GABRA1 P14867 1/20 0.69
TSHR P16473 1/20 0.69
GABRA2 P47869 1/20 0.69
GABRB2 P47870 1/20 0.69
SLCO1B3 Q9NPD5 1/20 0.69
HDAC2 Q92769 2/20 0.66
HDAC3 O15379 1/20 0.66
NCOR1 O75376 1/20 0.66
HDAC8 Q9BY41 1/20 0.66

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
SCHEMBL2113384 0.85 ALDH1A1 (0.77) HDAC6ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL4789384 0.83 CA12 (0.75) HDAC6ALDH1A1SMN1; SMN2HIF1ALMNA
Chlorambucil SCHEMBL5318105 0.82 SMN1; SMN2 (1.00) HDAC6ALDH1A1SMN1; SMN2HIF1ALMNA
Chlorambucil SCHEMBL4308 0.82 SMN1; SMN2 (1.00) HDAC6ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL7470724 0.82 ALDH1A1 (0.77) HDAC6ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL11516322 0.82 ALDH1A1 (0.77) HDAC6ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL7907639 0.82 HDAC6 (0.89) HDAC6ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL7914324 0.82 HDAC6 (0.89) HDAC6ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL4616980 0.81 ALDH1A1 (0.75) HDAC6ALDH1A1SMN1; SMN2HIF1ALMNA
Chlorambucil SCHEMBL28942852 0.81 SMN1; SMN2 (0.91) HDAC6ALDH1A1SMN1; SMN2HIF1ALMNA

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 8 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-8552176-B2 Glycosylated chlorambucil analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-08 US disclosed
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
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-19 US disclosed
US-6709679-B2 CONSISTING OF NATIVE OR THIOLATED TRANSFERRIN OR ALBUMIN OR OF POLYETHYLENE GLYCOL WITH ATLEAST ONE MERCAPTAN, HYDROXY OR AMINE GROUP AND CYTOSTATIC COMPOUNDS DERIVED THROUGH MALEINIMIDE OR HYDROXYSUCCINIMIDE ESTER COMPOUNDS KRATZ FELIX (DE) 2004-03-23 US disclosed
US-20020019343-A1 Antineoplastic conjugates of transferrin, albumin and polyethylene glycol KRATZ FELIX (DE) 2002-02-14 US disclosed
US-6310039-B1 TUMOR-INHIBITING CONJUGATES OF PROTEINS AND POLYMERS CONSISTING OF A SUITABLE CARRIER SYSTEM AND CYTOSTATIC COMPOUNDS KRATZ FELIX (DE) 2001-10-30 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 (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-20020019343-A1 Antineoplastic conjugates of transferrin, albumin and polyethylene glycol TFRC, ALB, FOLR1 HDAC6 616/4885ALDH1A1 2933/4885SMN1; SMN2 3377/4885
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF CD22, UGGT1, UGCG HDAC6 289/4885ALDH1A1 296/4885SMN1; SMN2 4582/4885

“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.