SCHEMBL7801200

SCHEMBL7801200

CCOC(=O)c1cc2c(s1)CCN(C(=O)C(C)(C)C)C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.70
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HDAC8 Q9BY41 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
RIPK1 Q13546 1/20 0.42
ADORA1 P30542 1/20 0.42
F2 P00734 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL976216 0.90 HDAC6 (0.55) HDAC6KDM4ETDP1ALDH1A1HPGD
SCHEMBL3441905 0.89 HDAC6 (0.54) HDAC6KDM4ETDP1ALDH1A1HPGD
SCHEMBL1174301 0.87 ADORA1 (0.57) HDAC6KDM4ETDP1ALDH1A1HPGD
SCHEMBL22490661 0.83 HDAC6 (0.49) HDAC6KDM4ETDP1ALDH1A1HPGD
SCHEMBL22490660 0.83 HDAC6 (0.49) HDAC6KDM4ETDP1ALDH1A1HPGD
SCHEMBL3310243 0.83 KDM4E (0.48) HDAC6KDM4ETDP1ALDH1A1HPGD
SCHEMBL11176901 0.83 KDM4E (0.48) HDAC6KDM4ETDP1ALDH1A1HPGD
SCHEMBL11179036 0.82 KDM4E (0.47) HDAC6KDM4ETDP1ALDH1A1HPGD
SCHEMBL2922878 0.82 PRMT5 (0.52) HDAC6KDM4ETDP1ALDH1A1HPGD
SCHEMBL16396046 0.82 TDP1 (0.47) HDAC6KDM4ETDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885KDM4E 903/4885TDP1 2235/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885KDM4E 903/4885TDP1 2235/4885

“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.