SCHEMBL15043387

SCHEMBL15043387

C=C(CCCc1nc2cc(N)ccc2n1C)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
PTGS1 P23219 1/20 0.41
HDAC10 Q969S8 1/20 0.41
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 2/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL2016350 0.86 MAPT (0.50) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15043386 0.81 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15043388 0.80 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL29988753 0.78 HDAC6 (0.63) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15199000 0.78 HDAC6 (0.63) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL2171116 0.78 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15436877 0.77 HDAC1 (0.44) HDAC6HDAC1HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL2171109 0.77 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL12388321 0.76 NPC1 (0.50) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL10021006 0.76 TNF (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.