SCHEMBL2406003

SCHEMBL2406003

CC(NS(=O)(=O)c1ccccc1C#N)c1ccc(C(=O)NO)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ADAM17 P78536 1/20 0.45
POLB P06746 1/20 0.43
KAT6A Q92794 1/20 0.43
HDAC6 Q9UBN7 7/20 0.43
HDAC1 Q13547 6/20 0.43
HDAC8 Q9BY41 3/20 0.43
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC2 Q92769 3/20 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
SCHEMBL2406411 0.83 ITGAV (0.51) LMNAHDAC6HDAC1HDAC8ALDH1A1
SCHEMBL2407401 0.82 SLC1A3 (0.48) ADAM17HDAC6HDAC1HDAC8HDAC3
SCHEMBL2408499 0.81 ITGAV (0.50) LMNAHDAC6HDAC1HDAC8ALDH1A1
SCHEMBL12280416 0.79 HDAC1 (0.43) LMNAPOLBHDAC6HDAC1HDAC8
SCHEMBL2407977 0.79 MMP7 (0.52) LMNAKAT6AHDAC6HDAC1HDAC8
SCHEMBL2412830 0.78 POLB (0.56) LMNAPOLBHDAC6HDAC1HDAC8
SCHEMBL2409531 0.77 CNR2 (0.43) LMNAHDAC6HDAC1HDAC8ALDH1A1
SCHEMBL2407384 0.76 MEN1 (0.53) LMNAADAM17POLBHDAC6HDAC1
SCHEMBL16000126 0.74 LMNA (0.54) LMNAADAM17POLBKAT6AHDAC1
SCHEMBL2413258 0.74 HDAC6 (0.49) LMNAADAM17HDAC6HDAC1SMN1; 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 7 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
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 LMNA 2259/4885ADAM17 1488/4885POLB 539/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 LMNA 2259/4885ADAM17 1488/4885POLB 539/4885

“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.