SCHEMBL15043384

SCHEMBL15043384

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.69
HDAC1 Q13547 5/20 0.69
HDAC8 Q9BY41 3/20 0.69
HDAC3 O15379 2/20 0.69
HDAC4 P56524 2/20 0.69
HDAC2 Q92769 2/20 0.69
HDAC5 Q9UQL6 2/20 0.69
PTGS1 P23219 1/20 0.69
HDAC10 Q969S8 1/20 0.69
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL2019945 0.96 HDAC6 (0.74) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL2015553 0.95 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL8400631 0.90 HDAC6 (0.71) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL12973509 0.88 HDAC6 (0.71) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL30714411 0.87 HDAC6 (0.92) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL15744758 0.87 HDAC6 (0.77) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL226988 0.87 HDAC6 (0.92) HDAC6HDAC1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL2783279 0.86 HDAC6 (0.90) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL9966133 0.86 HDAC6 (0.79) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL2171472 0.86 HDAC6 (0.79) HDAC6HDAC1HDAC8HDAC3HDAC4

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 7 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 4097/4885HDAC8 3295/4885
US-20140142153-A1 BENDAMUSTINE FORMULATIONS MTHFD1, MET, ABCG2 HDAC6 1831/4885HDAC1 3490/4885HDAC8 2550/4885

“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.