SCHEMBL9960450

SCHEMBL9960450

C=CCOC(=O)CCCc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 3/20 0.61
HIF1A Q16665 3/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
NFKB1 P19838 2/20 0.61
THPO P40225 2/20 0.61
PMP22 Q01453 2/20 0.61
TSHR P16473 2/20 0.61
GMNN O75496 1/20 0.61
CYP2D6 P10635 1/20 0.61
GABRA1 P14867 1/20 0.61
GABRA2 P47869 1/20 0.61
GABRB2 P47870 1/20 0.61
SLCO1B3 Q9NPD5 1/20 0.61
HDAC6 Q9UBN7 2/20 0.57
SLC2A1 P11166 1/20 0.57
HDAC2 Q92769 2/20 0.48
HDAC3 O15379 1/20 0.48
NCOR1 O75376 1/20 0.48

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
SCHEMBL6382023 0.89 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
SCHEMBL9960429 0.89 TSHR (0.46) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
SCHEMBL9950954 0.83 GMNN (0.66) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
SCHEMBL8615449 0.82 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
SCHEMBL6382758 0.81 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
SCHEMBL15226692 0.80 HIF1A (0.69) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
SCHEMBL24585186 0.80 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
SCHEMBL28280624 0.79 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
SCHEMBL3230448 0.78 HIF1A (0.59) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT
Bromide SCHEMBL2470900 0.77 HIF1A (0.57) SMN1; SMN2ALDH1A1HIF1ALMNAMAPT

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-8481751-B2 Process for the production of bendamustine alkyl ester, bendamustine, and derivatives thereof HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-20120165543-A1 PROCESS FOR THE PRODUCTION OF BENDAMUSTINE ALKYL ESTER, BENDAMUSTINE, AND DERIVATIVES THEREOF HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2012-06-28 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-20120165543-A1 PROCESS FOR THE PRODUCTION OF BENDAMUSTINE ALKYL ESTER, BENDAMUSTINE, AND DERIVATIVES THEREOF OTC, OAT, BCKDK SMN1; SMN2 2840/4885ALDH1A1 149/4885HIF1A 636/4885

“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.