SCHEMBL2407602

SCHEMBL2407602

CC(NC(=O)Nc1ccccc1-c1ccccc1)c1ccc(C(=O)NO)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
KCNQ2 O43526 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLA2G1B P04054 1/20 0.41
THRB P10828 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL2406905 0.84 ANPEP (0.53) HDAC1HDAC3HDAC4ALDH1A1MAPT
SCHEMBL12271271 0.83 HSD17B10 (0.56) HDAC1HDAC3HDAC4SMN1; SMN2HTT
SCHEMBL2405517 0.81 L3MBTL1 (0.51) HDAC1HDAC3HDAC4ALDH1A1SMN1; SMN2
SCHEMBL2408795 0.79 HDAC1 (0.72) HDAC1HDAC3HDAC4ALDH1A1LMNA
SCHEMBL2406801 0.79 ALDH1A1 (0.48) HDAC1HDAC3HDAC4ALDH1A1SMN1; SMN2
SCHEMBL2407484 0.79 ALDH1A1 (0.48) HDAC1HDAC3HDAC4ALDH1A1SMN1; SMN2
SCHEMBL2407982 0.77 HDAC1 (0.57) HDAC1HDAC3HDAC4NPSR1ALDH1A1
SCHEMBL2409121 0.76 MAPK1 (0.55) HDAC1HDAC3HDAC4ALDH1A1SMN1; SMN2
SCHEMBL2407891 0.76 ANPEP (0.51) HDAC1HDAC3HDAC4SMN1; SMN2MAPT
SCHEMBL2406325 0.76 MAPT (0.50) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106627-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-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 HDAC1 2/4885HDAC3 3/4885HDAC4 7/4885
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 HDAC1 2/4885HDAC3 3/4885HDAC4 7/4885

“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.