SCHEMBL2114475

SCHEMBL2114475

CCCC(=NOC)c1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.50
ERBB2 P04626 5/20 0.50
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HIF1A Q16665 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
NFKB1 P19838 2/20 0.38
THPO P40225 2/20 0.38
PMP22 Q01453 2/20 0.38
GMNN O75496 1/20 0.38
CYP2D6 P10635 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL2115806 0.84 EGFR (0.54) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL2113709 0.74 EGFR (0.65) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL5461220 0.73 ATM (0.48) GSK3BALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5461219 0.73 ATM (0.48) GSK3BALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5463436 0.71 GSK3B (0.44) GSK3BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5463441 0.71 GSK3B (0.44) GSK3BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16202068 0.71 DRD4 (0.49) GSK3BALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5958028 0.70 GSK3B (0.42) GSK3BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5958031 0.70 GSK3B (0.42) GSK3BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6351641 0.68 DRD4 (0.46) GSK3BALDH1A1LMNAMAPTCYP2D6

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 1132/4885GSK3B 4276/4885

“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.