SCHEMBL5778053

SCHEMBL5778053

CC(C)(C)OC(=O)NCc1ccc(/C(=N\N)c2ccc(-c3cnco3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
VHL P40337 1/20 0.43
GPR119 Q8TDV5 6/20 0.42
ATR Q13535 1/20 0.42
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNJ1 P48048 1/20 0.39
HPN P05981 1/20 0.39
HDAC10 Q969S8 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACACB O00763 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 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
SCHEMBL15110028 0.89 NAMPT (0.50) NAMPTHDAC1HDAC6VHLGPR119
SCHEMBL5778056 0.79 HDAC1 (0.43) NAMPTHDAC1HDAC6VHLGPR119
SCHEMBL5777062 0.76 NPC1 (0.44) HDAC1GPR119ACACBKDM4ENPC1
SCHEMBL5775952 0.74 NPC1 (0.49) HDAC1IMPDH2IMPDH1KDM4ENPC1
SCHEMBL5778725 0.73 KDM4E (0.48) HDAC6ATRIMPDH2IMPDH1KCNJ1
SCHEMBL16915211 0.73 IMPDH2 (0.51) GPR119IMPDH2IMPDH1KDM4ENPC1
SCHEMBL29726474 0.73 GRM2 (0.44) NAMPTGPR119IMPDH2IMPDH1L3MBTL1
SCHEMBL5779456 0.72 GPR119 (0.45) GPR119IMPDH2IMPDH1KDM4ENPC1
SCHEMBL25255179 0.72 NAMPT (0.43) NAMPTGPR119IMPDH2IMPDH1L3MBTL1
SCHEMBL15110902 0.71 VHL (0.54) HDAC1VHLIMPDH2IMPDH1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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 (1 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT NAMPT 4589/4885HDAC1 64/4885HDAC6 351/4885

“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.