Bendamustine

Bendamustine

SCHEMBL15523734

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

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Bendamustine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 known ✓ Q9UBN7 7/20 0.98
HDAC1 known ✓ Q13547 4/20 0.98
HDAC3 known ✓ O15379 2/20 0.98
HDAC4 known ✓ P56524 2/20 0.98
HDAC2 known ✓ Q92769 2/20 0.98
HDAC8 known ✓ Q9BY41 2/20 0.98
HDAC5 known ✓ Q9UQL6 2/20 0.98
PTGS1 known ✓ P23219 1/20 0.98
HDAC10 known ✓ Q969S8 1/20 0.98
MEN1 known ✓ O00255 1/20 0.49
ALDH1A1 P00352 2/20 0.51
GMNN O75496 1/20 0.51
LMNA P02545 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
GABRA1 P14867 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
GABRA2 P47869 1/20 0.51

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 SCHEMBL12497247 1.00 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL118499 0.99 HDAC6 (0.96) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL9950832 0.99 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL26319 0.99 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL29394147 0.99 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL18843 0.98 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL29352819 0.98 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL15436003 0.97 HDAC6 (0.96) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL16772708 0.96 HDAC6 (0.94) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL23909358 0.95 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801859-B2 Bendamustine formulations INNOPHARMA LICENSING, LLC (US) 2017-10-31 US disclosed
US-20140080880-A1 Bendamustine Formulations INNOPHARMA, INC. (US) 2014-03-20 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-20140080880-A1 Bendamustine Formulations TREH, MUC1, SBK1 HDAC6 136/4885HDAC1 1370/4885HDAC3 3525/4885

“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.