SCHEMBL7797678

SCHEMBL7797678

Cc1nc(C(=O)N2CCc3sc(C(=O)NO)c(C)c3C2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
KCNH2 Q12809 2/20 0.46
GFER P55789 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MDM2 Q00987 1/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
HDAC6 Q9UBN7 4/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL1174092 0.82 L3MBTL1 (0.46) GRM5PRMT5WDR77L3MBTL1GAA
SCHEMBL1175401 0.76 PRMT5 (0.48) KCNH2PRMT5WDR77L3MBTL1HDAC6
SCHEMBL1174262 0.75 HDAC6 (0.52) GRM5PRMT5WDR77GAAHDAC6
SCHEMBL1174052 0.75 HDAC6 (0.57) PRMT5WDR77HDAC6
SCHEMBL1173854 0.74 HDAC6 (0.64) PRMT5WDR77MAPK1HDAC6
SCHEMBL1174139 0.74 HDAC6 (0.51) PRMT5WDR77MAPK1HDAC6
SCHEMBL1174553 0.74 PRMT5 (0.47) PRMT5WDR77HDAC6ALDH1A1
SCHEMBL7796318 0.74 HDAC6 (0.56) PRMT5WDR77L3MBTL1HDAC6
SCHEMBL10224094 0.73 GRM5 (0.52) GRM5KCNH2GFERMDM2TRPC3
SCHEMBL1173941 0.73 PRMT5 (0.37) PRMT5WDR77GAAHDAC6

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-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-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 GRM5 174/4885KCNH2 3097/4885GFER 3377/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 GRM5 174/4885KCNH2 3097/4885GFER 3377/4885

“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.