SCHEMBL2408060

SCHEMBL2408060

C[C@H](NC(=O)C1CCN(C)CC1)c1ccc(C(=O)NO)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.44
HDAC1 Q13547 4/20 0.44
MKNK1 Q9BUB5 1/20 0.42
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HTR1F P30939 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
HDAC3 O15379 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 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
SCHEMBL12280042 0.86 HDAC6 (0.41) HDAC6HDAC1MKNK1POLBHDAC2
SCHEMBL12271447 0.79 MKNK1 (0.38) MKNK1POLBNPSR1TP53ALDH1A1
SCHEMBL12279983 0.78 HDAC1 (0.40) HDAC6HDAC1MKNK1HDAC2HDAC8
SCHEMBL2409944 0.78 GSK3B (0.37) HDAC6HDAC1MKNK1POLBHDAC2
SCHEMBL12271590 0.75 MKNK1 (0.37) MKNK1POLBTP53ALDH1A1SMN1; SMN2
SCHEMBL12271651 0.74 TP53 (0.39) HDAC6MKNK1POLBTP53HDAC8
SCHEMBL2408437 0.73 HDAC1 (0.49) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL12280140 0.72 HDAC6 (0.43) HDAC6HDAC1POLBHDAC2HDAC8
SCHEMBL2410279 0.72 HDAC6 (0.48) HDAC6HDAC1HDAC2HDAC8HTR1F
SCHEMBL12280591 0.72 HDAC6 (0.50) HDAC6HDAC1POLBNPSR1TP53

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC6 1/4885HDAC1 3/4885MKNK1 3433/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC6 1/4885HDAC1 3/4885MKNK1 3433/4885

“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.