SCHEMBL2115806

SCHEMBL2115806

CCCC(=NO)c1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.54
ERBB2 P04626 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HIF1A Q16665 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NFKB1 P19838 2/20 0.40
THPO P40225 2/20 0.40
PMP22 Q01453 2/20 0.40
GMNN O75496 1/20 0.40
CYP2D6 P10635 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
HDAC6 Q9UBN7 2/20 0.38
HDAC2 Q92769 2/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL2114475 0.84 EGFR (0.50) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL2113709 0.78 EGFR (0.65) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL6562185 0.72 GAA (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL6562182 0.72 GAA (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL8193682 0.71 EGFR (0.69) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL14604957 0.70 ATM (0.54) SMN1; SMN2ALDH1A1MAPTKDM4EMEN1
SCHEMBL5449388 0.70 ATM (0.54) SMN1; SMN2ALDH1A1MAPTKDM4EMEN1
SCHEMBL5449384 0.70 ATM (0.54) SMN1; SMN2ALDH1A1MAPTKDM4EMEN1
SCHEMBL7197777 0.69 LMNA (0.41) SMN1; SMN2ALDH1A1LMNAMAPTCYP2D6
SCHEMBL11980711 0.69 EGFR (0.63) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A

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 EGFR 1475/4885ERBB2 1132/4885SMN1; 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.