SCHEMBL14949142

SCHEMBL14949142

COC(=O)CCCc1nc2cc(N(CCO)CCOC(=O)CCCc3nc4cc(N(CCO)CCO)ccc4n3C)ccc2n1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 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
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
P2RY12 Q9H244 3/20 0.40
PDE2A O00408 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 2/20 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
SCHEMBL15104883 0.94 HDAC6 (0.64) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL14700719 0.93 HDAC6 (0.69) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL14700702 0.93 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15450787 0.93 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL8400628 0.88 HDAC6 (0.78) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL12358936 0.88 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL31688425 0.88 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL365881 0.88 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL2171472 0.85 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL24426706 0.85 HDAC6 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461350-B2 Bendamustine pharmaceutical compositions CEPHALON, INC. (US) 2013-06-11 US disclosed
US-20130131131-A1 Bendamustine Pharmaceutical Compositions CEPHALON LLC 2013-05-23 US disclosed
US-20130123316-A1 Bendamustine Pharmaceutical Compositions CEPHALON LLC 2013-05-16 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-20130123316-A1 Bendamustine Pharmaceutical Compositions FOLR1, FPGS, FLT3 HDAC6 487/4885HDAC1 3095/4885HDAC3 3718/4885
US-20130131131-A1 Bendamustine Pharmaceutical Compositions FOLR1, FPGS, FLT3 HDAC6 487/4885HDAC1 3095/4885HDAC3 3718/4885

“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.