SCHEMBL2406708

SCHEMBL2406708

Cn1cc(C(=O)NC(c2ccc(C(=O)NO)cc2)C(C)(C)C)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.51
HDAC1 Q13547 7/20 0.51
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR4A2 P43354 1/20 0.45
POLB P06746 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC3 O15379 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL12280039 0.77 NPC1 (0.48) HDAC6HDAC1ALDH1A1SMN1; SMN2HDAC2
SCHEMBL2410258 0.76 HDAC1 (0.51) HDAC6HDAC1NR4A2HDAC2HDAC3
SCHEMBL2406322 0.76 HDAC6 (0.58) HDAC6HDAC1ALDH1A1SMN1; SMN2POLB
SCHEMBL12280158 0.76 PHGDH (0.59) HDAC6HDAC1HDAC2KMT2ACNR2
SCHEMBL2409757 0.76 PHGDH (0.59) HDAC6HDAC1HDAC2KMT2ACNR2
SCHEMBL2407135 0.76 ALDH1A1 (0.49) HDAC6HDAC1ALDH1A1SMN1; SMN2NR4A2
SCHEMBL12280141 0.75 HDAC6 (0.55) HDAC6HDAC1SMN1; SMN2POLBHDAC2
SCHEMBL2408477 0.75 HDAC6 (0.55) HDAC6HDAC1SMN1; SMN2POLBHDAC2
SCHEMBL12279807 0.75 HDAC6 (0.61) HDAC6HDAC1ALDH1A1SMN1; SMN2HDAC2
SCHEMBL2409658 0.75 HDAC1 (0.45) HDAC6HDAC1ALDH1A1SMN1; SMN2

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 6 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-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
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 3/4885ALDH1A1 1696/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC6 1/4885HDAC1 3/4885ALDH1A1 1696/4885

“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.