SCHEMBL13554186

SCHEMBL13554186

CCNCc1ccc(C(=O)NCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.54
HDAC1 Q13547 5/20 0.54
HDAC3 O15379 3/20 0.54
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HDAC8 Q9BY41 2/20 0.50
EPHX2 P34913 8/20 0.49
NR1H4 Q96RI1 6/20 0.49
PLK1 P53350 1/20 0.49
HDAC2 Q92769 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL26384521 0.85 PLK1 (0.68) HDAC6HDAC1HDAC3KMT2ALMNA
SCHEMBL12373076 0.85 HDAC6 (0.54) HDAC6HDAC1HDAC3MEN1MAPT
SCHEMBL5909057 0.84 CA12 (0.58) HDAC6HDAC1HDAC3MEN1MAPT
SCHEMBL9072937 0.84 CA1 (0.52) HDAC6HDAC1HDAC3LMNAHDAC8
SCHEMBL12368427 0.84 HDAC1 (0.72) HDAC6HDAC1HDAC3MAPTKMT2A
SCHEMBL826023 0.82 PLK1 (0.68) HDAC6HDAC1HDAC3MEN1MAPT
SCHEMBL2663047 0.81 PRSS1 (0.48) HDAC6HDAC1HDAC3MEN1MAPT
SCHEMBL28266759 0.81 RORC (0.61) EPHX2NR1H4
SCHEMBL18602133 0.81 KMT2A (0.57) HDAC6HDAC1HDAC3MAPTKMT2A
SCHEMBL2663103 0.81 ALDH1A1 (0.65) HDAC6KMT2AHPGDHDAC8EPHX2

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-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 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-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 HDAC6 1000/4885HDAC1 859/4885HDAC3 1155/4885

“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.