SCHEMBL2408076

SCHEMBL2408076

C[C@@H](NC(=O)NCc1ccccc1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.62
HDAC8 Q9BY41 5/20 0.62
HDAC2 Q92769 4/20 0.62
HDAC1 Q13547 5/20 0.57
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
ANPEP P15144 3/20 0.55
EPHX2 P34913 2/20 0.53
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL2408013 0.88 ANPEP (0.56) HDAC6HDAC8HDAC1HDAC3ANPEP
SCHEMBL2408348 0.87 EPHX2 (0.64) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL12280724 0.87 EPHX2 (0.64) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL2406324 0.87 HDAC6 (0.47) HDAC6HDAC8HDAC2HDAC1ANPEP
SCHEMBL6436940 0.86 EPHX2 (0.68) ANPEPEPHX2MAPTL3MBTL1SMN1; SMN2
SCHEMBL2405281 0.84 ALDH1A1 (0.65) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL2407104 0.84 ALDH1A1 (0.65) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL2407916 0.84 ALDH1A1 (0.65) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL2406660 0.84 HPGD (0.53) HDAC6HDAC8HDAC1ANPEPEPHX2
SCHEMBL19570381 0.82 UTS2R (0.64) ANPEPEPHX2MAPTL3MBTL1TP53

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 6 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
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 HDAC6 1/4885HDAC8 15/4885HDAC2 7/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC6 1/4885HDAC8 15/4885HDAC2 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.