SCHEMBL2409658

SCHEMBL2409658

Cc1nn(C)cc1C(=O)NC(c1ccc(C(=O)NO)cc1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
ATM Q13315 1/20 0.44
GAA P10253 5/20 0.41
NAMPT P43490 1/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALPL P05186 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
PDE2A O00408 2/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL2406750 0.79 HDAC1 (0.47) HDAC1HDAC6HDAC8RAB9ASMN1; SMN2
SCHEMBL12279807 0.77 HDAC6 (0.61) HDAC1HDAC6HDAC8GAASMN1; SMN2
SCHEMBL2407462 0.77 BAZ2B (0.47) HDAC1HDAC6HDAC8GAARAB9A
SCHEMBL12280039 0.77 NPC1 (0.48) HDAC1HDAC6HDAC8RAB9ASMN1; SMN2
SCHEMBL2406708 0.75 HDAC6 (0.51) HDAC1HDAC6SMN1; SMN2ALDH1A1
SCHEMBL2409463 0.74 HDAC1 (0.67) HDAC1HDAC6HDAC8SMN1; SMN2ALDH1A1
SCHEMBL2406134 0.74 KCNT1 (0.43) HDAC1HDAC6HDAC8NAMPTCTSV
SCHEMBL2408196 0.74 HDAC1 (0.43) HDAC1HDAC6HDAC8PDE2A
SCHEMBL2408314 0.74 MAPT (0.49) HDAC1HDAC6HDAC8RAB9ASMN1; SMN2
SCHEMBL2408114 0.74 ATM (0.46) HDAC6HDAC8ATMGAANAMPT

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-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-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 HDAC1 3/4885HDAC6 1/4885HDAC8 15/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885HDAC6 1/4885HDAC8 15/4885

“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.