SCHEMBL6917439

SCHEMBL6917439

CC(NC(=O)c1cscn1)c1cccc(C(=O)NO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 4/20 0.44
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 5/20 0.41
HDAC2 Q92769 3/20 0.41
CA2 P00918 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKACA P17612 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
PRKCQ Q04759 1/20 0.40
MST1R Q04912 1/20 0.40

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
SCHEMBL2407405 0.81 HTT (0.55) ALDH1A1ROCK2ROCK1MEN1LMNA
SCHEMBL6919879 0.80 TLR7 (0.53) ALDH1A1ROCK2ROCK1HDAC3HDAC1
SCHEMBL6919184 0.77 ALDH1A1 (0.48) ALDH1A1ROCK2ROCK1HDAC3HDAC1
SCHEMBL2411612 0.76 ALDH1A1 (0.47) ALDH1A1ROCK2ROCK1HDAC3HDAC1
SCHEMBL6918740 0.76 ALDH1A1 (0.47) ALDH1A1ROCK2ROCK1HDAC6CA2
SCHEMBL2440129 0.75 BAZ2B (0.47) ALDH1A1ROCK2ROCK1HDAC3HDAC1
SCHEMBL12279819 0.75 ALDH1A1 (0.57) ALDH1A1ROCK2ROCK1HDAC1HDAC6
SCHEMBL2410993 0.74 HDAC1 (0.54) ALDH1A1ROCK2ROCK1HDAC3HDAC1
SCHEMBL31019185 0.74 TP53 (0.42) MEN1KMT2A
SCHEMBL2410752 0.74 HDAC6 (0.56) ALDH1A1ROCK2ROCK1HDAC3HDAC1

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 9 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

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 ALDH1A1 1696/4885ROCK2 360/4885ROCK1 210/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885ROCK2 360/4885ROCK1 210/4885

“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.