Bendamustine

Bendamustine

SCHEMBL9950832

Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 1.00
HDAC1 Q13547 4/20 1.00
HDAC3 O15379 2/20 1.00
HDAC4 P56524 2/20 1.00
HDAC2 Q92769 2/20 1.00
HDAC8 Q9BY41 2/20 1.00
HDAC5 Q9UQL6 2/20 1.00
PTGS1 P23219 1/20 1.00
HDAC10 Q969S8 1/20 1.00
ALDH1A1 P00352 2/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
GABRA1 P14867 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52

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
Bendamustine SCHEMBL26319 1.00 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL29394147 1.00 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL15523734 0.99 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL12497247 0.99 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL18843 0.99 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL29352819 0.99 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL15436003 0.98 HDAC6 (0.96) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL118499 0.98 HDAC6 (0.96) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL16772708 0.97 HDAC6 (0.94) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL23909358 0.96 HDAC6 (0.92) HDAC6HDAC1HDAC3HDAC4HDAC2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468716-B1 Process for producing bendamustine alkyl esters, bendamustine and derivatives of same HERAEUS DEUTSCHLAND GMBH & CO KG (DE) 2017-07-19 EP disclosed
US-20150050210-A1 PHARMACEUTICAL FORMULATION COMPRISING BENDAMUSTINE SALMON PHARMA GMBH (CH) 2015-02-19 US disclosed
EP-2827844-A1 PHARMACEUTICAL FORMULATION COMPRISING BENDAMUSTINE Salmon Pharma GmbH (CH) 2015-01-28 EP disclosed
WO-2013139991-A1 PHARMACEUTICAL FORMULATION COMPRISING BENDAMUSTINE SALMON PHARMA GMBH (CH) 2013-09-26 WO disclosed
EP-2641592-A1 Pharmaceutical formulation comprising bendamustine Salmon Pharma GmbH (CH) 2013-09-25 EP disclosed
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
EP-2468716-A1 Process for producing bendamustine alkyl esters, bendamustine and derivatives of same Heraeus Precious Metals GmbH & Co. KG (DE) 2012-06-27 EP 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 HDAC6 1763/4885HDAC1 2804/4885HDAC3 2766/4885

“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.