SCHEMBL2118570

SCHEMBL2118570

CCOC(=O)c1ccc2ccn(CCCN(C(=O)OC(C)(C)C)c3ccc(OC)cc3)c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 7/20 0.42
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
NLRP3 Q96P20 1/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL2115736 0.93 ALDH1A1 (0.38) TNFKDM4EALDH1A1HDAC3HDAC1
SCHEMBL2118215 0.88 HDAC6 (0.46) TNFKDM4EALDH1A1HDAC3HDAC1
SCHEMBL2611243 0.77 HDAC6 (0.40) TNFKDM4EALDH1A1HDAC3HDAC1
SCHEMBL2118926 0.76 HDAC6 (0.49) TNFKDM4EALDH1A1HDAC3HDAC1
SCHEMBL30782377 0.74 TNF (0.42) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL27151376 0.74 TNF (0.42) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL31607727 0.72 TNF (0.52) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL27137476 0.72 TNF (0.52) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL2116182 0.72 MCL1 (0.53) TNFKDM4EALDH1A1HDAC3HDAC1
SCHEMBL5107372 0.70 CA12 (0.42) KDM4EALDH1A1MAPTNPC1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 TNF 649/4885KDM4E 769/4885ALDH1A1 298/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 TNF 649/4885KDM4E 769/4885ALDH1A1 298/4885

“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.