SCHEMBL7799782

SCHEMBL7799782

COC(=O)c1cc2c(s1)CN(C(=O)C(C)(C)C)CC2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.79
HDAC8 Q9BY41 1/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
RIPK1 Q13546 1/20 0.42
MAPT P10636 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL1174246 0.88 HDAC6 (1.00) HDAC6HDAC8HPGDMAPK1ALDH1A1
SCHEMBL31670239 0.88 HDAC6 (0.61) HDAC6KDM4EHPGDRAB9AMAPK1
SCHEMBL1173935 0.87 HDAC6 (0.60) HDAC6HDAC8KDM4EHPGDRAB9A
SCHEMBL27081538 0.86 HDAC6 (0.59) HDAC6KDM4EHPGDRAB9AMAPK1
SCHEMBL1174522 0.82 HDAC6 (0.53) HDAC6KDM4EHPGDRAB9AMAPK1
SCHEMBL7795097 0.79 HDAC6 (0.51) HDAC6KDM4EHPGDRAB9AMAPK1
SCHEMBL12869096 0.79 HDAC6 (0.51) HDAC6KDM4EHPGDRAB9AMAPK1
SCHEMBL3309479 0.79 KDM4E (0.54) HDAC6KDM4EHPGDRAB9AMAPK1
SCHEMBL1173977 0.77 HDAC6 (1.00) HDAC6HDAC8HPGDMAPK1ALDH1A1
SCHEMBL27141410 0.77 HDAC6 (0.58) HDAC6KDM4EMAPK1MAPTESR2

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 1/4885HDAC8 11/4885KDM4E 903/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC8 11/4885KDM4E 903/4885

“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.