SCHEMBL370678

SCHEMBL370678

C=CCOC(=O)CCCc1nc2cc(N(CCO)CCO)ccc2n1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.58
HDAC1 Q13547 4/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
PTGS1 P23219 1/20 0.58
HDAC10 Q969S8 1/20 0.58
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 5/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 3/20 0.34

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
SCHEMBL9960469 0.92 HDAC6 (0.71) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15443123 0.90 HDAC1 (0.59) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL31688425 0.88 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL365881 0.88 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15104883 0.86 HDAC6 (0.64) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL2015553 0.85 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL14949142 0.85 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL14700702 0.85 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15450787 0.85 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL14700719 0.85 HDAC6 (0.69) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987469-B2 Process for the preparation of bendamustine HEYL CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. KG (DE) 2015-03-24 US claimed
EP-2690096-B1 Process for preparation of Bendamustine HEYL CHEM PHARM (DE) 2014-11-26 EP claimed
US-20140031560-A1 PROCESS FOR THE PREPARATION OF BENDAMUSTINE HEYL CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. KG (DE) 2014-01-30 US claimed
EP-2690096-A1 Process for preparation of Bendamustine HEYL Chemisch-Pharmazeutische Fabrik GmbH und Co. KG (DE) 2014-01-29 EP claimed
US-10252999-B2 Process for preparing alkyl esters of 4-(5-(bis(2-hydroxyethyl)amino-1-methyl-1H-benzo[D]imidazol-2-yl)butyric acid JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-04-09 US disclosed
US-20180105499-A1 PROCESS FOR PREPARING ALKYL ESTERS OF 4-(5-(BIS(2-HYDROXYETHYL)AMINO-1-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)BUTYRIC ACID MACFARLAN SMITH LIMITED (GB) 2018-04-19 US disclosed
US-8987469-B2 Process for the preparation of bendamustine HEYL CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. KG (DE) 2015-03-24 US disclosed
US-8987469-B2 Process for the preparation of bendamustine HEYL CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. KG (DE) 2015-03-24 US disclosed
EP-2690096-B1 Process for preparation of Bendamustine HEYL CHEM PHARM (DE) 2014-11-26 EP disclosed
US-20140275567-A1 PROCESS FOR PREPARING ALKYL ESTERS OF 4-(5-(BIS(2-HYDROXYETHYL)AMINO)-1-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)BUTYRIC ACID JOHNSON MATTHEY PLC (GB) 2014-09-18 US disclosed
US-20140031560-A1 PROCESS FOR THE PREPARATION OF BENDAMUSTINE HEYL CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. KG (DE) 2014-01-30 US disclosed
US-20140031560-A1 PROCESS FOR THE PREPARATION OF BENDAMUSTINE HEYL CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. KG (DE) 2014-01-30 US disclosed
EP-2690096-A1 Process for preparation of Bendamustine HEYL Chemisch-Pharmazeutische Fabrik GmbH und Co. KG (DE) 2014-01-29 EP disclosed
EP-2690096-A1 Process for preparation of Bendamustine HEYL Chemisch-Pharmazeutische Fabrik GmbH und Co. KG (DE) 2014-01-29 EP disclosed
US-20130317234-A1 Process for Preparation of Intermediates of Bendamustine BIOPHORE INDIA PHARMACEUTICALS PVT. LTD (IN) 2013-11-28 US 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
WO-2012007966-A3 PROCESS FOR PREPARATION OF INTERMEDIATES OF BENDAMUSTINE BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2012-03-08 WO disclosed
WO-2012007966-A2 PROCESS FOR PREPARATION OF INTERMEDIATES OF BENDAMUSTINE BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2012-01-19 WO 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 (3 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
US-20140031560-A1 PROCESS FOR THE PREPARATION OF BENDAMUSTINE OGDH, GCDH, BPGM HDAC6 993/4885HDAC1 1465/4885HDAC3 1407/4885
US-20130317234-A1 Process for Preparation of Intermediates of Bendamustine GABRB1, GABRB2, GABRB3 HDAC6 1357/4885HDAC1 2415/4885HDAC3 2262/4885

“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.