SCHEMBL2114474

SCHEMBL2114474

CON=CCCCc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HIF1A Q16665 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
NFKB1 P19838 2/20 0.49
THPO P40225 2/20 0.49
PMP22 Q01453 2/20 0.49
GMNN O75496 1/20 0.49
CYP2D6 P10635 1/20 0.49
GABRA1 P14867 1/20 0.49
TSHR P16473 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
HDAC6 Q9UBN7 1/20 0.46
HDAC3 O15379 1/20 0.39
NCOR1 O75376 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL2115804 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL2113707 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL27596114 0.74 KDM4E (0.44) PTGS1KCNH2KDM4E
SCHEMBL28115040 0.74 IDO1 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2114634 0.71 LMNA (0.51) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL7389802 0.71 IGF1R (0.45) ALDH1A1MAPTCYP2D6TSHRMEN1
SCHEMBL4266391 0.71 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL15226692 0.70 HIF1A (0.69) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL19732416 0.70 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL26242336 0.70 EGFR (0.57) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT

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 ALDH1A1 296/4885SMN1; SMN2 4582/4885HIF1A 721/4885

“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.