SCHEMBL16772708

SCHEMBL16772708

Cn1c(CCCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.94
HDAC1 Q13547 4/20 0.94
HDAC3 O15379 2/20 0.94
HDAC4 P56524 2/20 0.94
HDAC2 Q92769 2/20 0.94
HDAC8 Q9BY41 2/20 0.94
HDAC5 Q9UQL6 2/20 0.94
PTGS1 P23219 1/20 0.94
HDAC10 Q969S8 1/20 0.94
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
GABRA1 P14867 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL14816587 0.99 HDAC6 (0.92) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL28548077 0.99 HDAC6 (0.92) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL29394147 0.97 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL9950832 0.97 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL26319 0.97 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL29352819 0.96 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL12497247 0.96 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL18843 0.96 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL15523734 0.96 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC4HDAC2
Bendamustine SCHEMBL15436003 0.95 HDAC6 (0.96) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294208-B2 Bendamustine derivatives and related compounds, and medical use thereof in cancer therapy SYNBIAS PHARMA AG (CH) 2019-05-21 US disclosed
US-20170313663-A1 Bendamustine Derivatives and Related Compounds, and Medical Use Thereof in Cancer Therapy Schickaneder, Helmut (DE) 2017-11-02 US disclosed
WO-2015091827-A1 BENDAMUSTINE DERIVATIVES AND RELATED COMPOUNDS SCHICKANEDER HELMUT (DE) 2015-06-25 WO disclosed
US-20150152066-A1 BENDAMUSTINE DERIVATIVES AND RELATED COMPOUNDS, AND MEDICAL USE THEREOF IN CANCER THERAPY HELMUT SCHICKANEDER (DE) 2015-06-04 US disclosed
US-20150152066-A1 BENDAMUSTINE DERIVATIVES AND RELATED COMPOUNDS, AND MEDICAL USE THEREOF IN CANCER THERAPY HELMUT SCHICKANEDER (DE) 2015-06-04 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 (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-20150152066-A1 BENDAMUSTINE DERIVATIVES AND RELATED COMPOUNDS, AND MEDICAL USE THEREOF IN CANCER THERAPY FLT4, FLT3, FLT1 HDAC6 985/4885HDAC1 3165/4885HDAC3 3630/4885
US-10294208-B2 Bendamustine derivatives and related compounds, and medical use thereof in cancer therapy FLT4, FLT3, FLT1 HDAC6 985/4885HDAC1 3165/4885HDAC3 3630/4885
US-20170313663-A1 Bendamustine Derivatives and Related Compounds, and Medical Use Thereof in Cancer Therapy FLT4, FLT3, FLT1 HDAC6 985/4885HDAC1 3165/4885HDAC3 3630/4885

“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.