SCHEMBL2019945

SCHEMBL2019945

CC(C)OC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.74
HDAC1 Q13547 4/20 0.74
HDAC3 O15379 2/20 0.74
HDAC4 P56524 2/20 0.74
HDAC2 Q92769 2/20 0.74
HDAC8 Q9BY41 2/20 0.74
HDAC5 Q9UQL6 2/20 0.74
PTGS1 P23219 1/20 0.74
HDAC10 Q969S8 1/20 0.74
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL15043384 0.96 HDAC6 (0.69) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL8400631 0.92 HDAC6 (0.71) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL2015553 0.91 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL9966133 0.89 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL2171472 0.89 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15043388 0.88 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL8400630 0.88 HDAC6 (0.71) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15690551 0.88 HDAC1 (0.65) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL29406239 0.87 HDAC6 (0.76) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL229510 0.87 HDAC6 (0.76) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376394-B2 Preparation of bendamustine and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2016-06-28 US disclosed
US-9376394-B2 Preparation of bendamustine and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2016-06-28 US disclosed
US-9376394-B2 Preparation of bendamustine and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2016-06-28 US disclosed
US-20150175554-A1 Highly pure bendamustine hydrochloride monohydrate SHILPA MEDICARE LTD (IN) 2015-06-25 US disclosed
US-20150175554-A1 Highly pure bendamustine hydrochloride monohydrate SHILPA MEDICARE LTD (IN) 2015-06-25 US disclosed
WO-2014170769-A2 BENDAMUSTINE LYOPHILIZED PHARMACEUTICAL COMPOSITIONS SHILPA MEDICARE LIMITED (IN) 2014-10-23 WO disclosed
US-20140142153-A1 BENDAMUSTINE FORMULATIONS DR. REDDY'S LABORATORIES, INC. (IN) 2014-05-22 US disclosed
US-20140142153-A1 BENDAMUSTINE FORMULATIONS DR. REDDY'S LABORATORIES, INC. (IN) 2014-05-22 US disclosed
US-20140142153-A1 BENDAMUSTINE FORMULATIONS DR. REDDY'S LABORATORIES, INC. (IN) 2014-05-22 US disclosed
US-20130217888-A1 PROCESS FOR PREPARING BENDAMUS TINE HYDROCHLORIDE MONOHYDRATE SHAILPA MEDICARE LIMITED (IN) 2013-08-22 US disclosed
US-20130217888-A1 PROCESS FOR PREPARING BENDAMUS TINE HYDROCHLORIDE MONOHYDRATE SHAILPA MEDICARE LIMITED (IN) 2013-08-22 US disclosed
US-20130158273-A1 PREPARATION OF BENDAMUSTINE AND ITS SALTS DR. REDDY'S LABORATORIES, INC. (US) 2013-06-20 US disclosed
US-20130158273-A1 PREPARATION OF BENDAMUSTINE AND ITS SALTS DR. REDDY'S LABORATORIES, INC. (US) 2013-06-20 US disclosed
EP-2516404-A2 PREPARATION OF BENDAMUSTINE AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2012-10-31 EP disclosed
WO-2011079193-A2 PREPARATION OF BENDAMUSTINE AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2011-06-30 WO disclosed
WO-2011079193-A2 PREPARATION OF BENDAMUSTINE AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2011-06-30 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 (4 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-20130158273-A1 PREPARATION OF BENDAMUSTINE AND ITS SALTS FOLR1, FOLR2, FLT3 HDAC6 2271/4885HDAC1 4097/4885HDAC3 4261/4885
US-20130217888-A1 PROCESS FOR PREPARING BENDAMUS TINE HYDROCHLORIDE MONOHYDRATE FLT3, TYMP, SBDS HDAC6 3562/4885HDAC1 4483/4885HDAC3 4762/4885
US-20140142153-A1 BENDAMUSTINE FORMULATIONS MTHFD1, MET, ABCG2 HDAC6 1831/4885HDAC1 3490/4885HDAC3 3261/4885
US-20150175554-A1 Highly pure bendamustine hydrochloride monohydrate BHMT, FOLR2, SMCHD1 HDAC6 3846/4885HDAC1 4015/4885HDAC3 4728/4885

“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.