SCHEMBL2410752

SCHEMBL2410752

CC(NC(=O)c1cc(F)cc(F)c1)c1cccc(C(=O)NO)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.56
HDAC1 Q13547 3/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.53
NPC1 O15118 1/20 0.52
GPR139 Q6DWJ6 2/20 0.51
CA2 P00918 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
GAA P10253 1/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL12279783 0.85 NPC1 (0.60) HDAC6HDAC1ALDH1A1LMNANPC1
SCHEMBL12279819 0.82 ALDH1A1 (0.57) HDAC6HDAC1ALDH1A1LMNANPC1
SCHEMBL16330335 0.82 ALDH1A1 (0.54) HDAC1ALDH1A1LMNANPC1GPR139
SCHEMBL2409579 0.82 NPSR1 (0.56) HDAC1ALDH1A1LMNANPC1GPR139
SCHEMBL1972630 0.80 GPR139 (0.74) HDAC6HDAC1ALDH1A1LMNANPC1
SCHEMBL2406385 0.80 ALDH1A1 (0.61) HDAC1ALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL2409529 0.80 ALDH1A1 (0.61) HDAC1ALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL12280060 0.80 NR1H4 (0.59) HDAC6HDAC1ALDH1A1LMNANPC1
SCHEMBL2412896 0.80 ALDH1A1 (0.61) HDAC1ALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL6918172 0.79 ALDH1A1 (0.64) HDAC6ALDH1A1CA2SMN1; SMN2GAA

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 11 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 claimed
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
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

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.