SCHEMBL2410993

SCHEMBL2410993

CC(NC(=O)c1cccs1)c1cccc(C(=O)NO)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
CA2 P00918 1/20 0.46
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 2/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2407349 0.79 ALDH1A1 (0.52) HDAC1HDAC3HDAC4ALDH1A1SMN1; SMN2
SCHEMBL2406760 0.78 HDAC1 (0.60) HDAC1HDAC3HDAC4ALDH1A1RAB9A
SCHEMBL2408298 0.78 HDAC1 (0.60) HDAC1HDAC3HDAC4ALDH1A1RAB9A
SCHEMBL2408978 0.78 HDAC1 (0.60) HDAC1HDAC3HDAC4ALDH1A1RAB9A
SCHEMBL2412921 0.78 LMNA (0.57) HDAC1HDAC3HDAC4ALDH1A1KCNK3
SCHEMBL12279819 0.77 ALDH1A1 (0.57) HDAC1ALDH1A1SMN1; SMN2CA2NPC1
SCHEMBL2409579 0.77 NPSR1 (0.56) HDAC1ALDH1A1SMN1; SMN2CA2NPC1
SCHEMBL2410752 0.76 HDAC6 (0.56) HDAC1HDAC3HDAC4ALDH1A1SMN1; SMN2
SCHEMBL2410958 0.76 ALDH1A1 (0.51) HDAC1HDAC3HDAC4ALDH1A1CA2
SCHEMBL6919879 0.76 TLR7 (0.53) HDAC1HDAC3HDAC4ALDH1A1SMN1; 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 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
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 HDAC1 3/4885HDAC3 5/4885HDAC4 9/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885HDAC3 5/4885HDAC4 9/4885

“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.