SCHEMBL2114634

SCHEMBL2114634

CONCCCCc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HIF1A Q16665 3/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 2/20 0.51
THPO P40225 2/20 0.51
PMP22 Q01453 2/20 0.51
GMNN O75496 1/20 0.51
CYP2D6 P10635 1/20 0.51
GABRA1 P14867 1/20 0.51
TSHR P16473 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CA12 O43570 6/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 6/20 0.46

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
SCHEMBL2117218 0.80 HDAC6 (0.62) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL8952467 0.78 ALDH1A1 (0.59) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL15226692 0.75 HIF1A (0.69) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL26242336 0.75 EGFR (0.57) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL17806416 0.74 ALDH1A1 (0.64) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL10090440 0.74 IGF1R (0.46) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL6094906 0.73 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL4266391 0.73 ALDH1A1 (0.61) LMNAALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL10824440 0.73 CALM1 (0.55) SMN1; SMN2ALOX15CHRM2TDP1
SCHEMBL3778866 0.72 ALDH1A1 (0.60) LMNAALDH1A1SMN1; SMN2HIF1AMAPT

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 5 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

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 LMNA 4698/4885ALDH1A1 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.