SCHEMBL5778667

SCHEMBL5778667

CN(C)C(=O)COc1ccc(/C=N/Nc2ccc(-c3cnco3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 1/20 0.51
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
GAA P10253 2/20 0.42
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
IMPDH2 P12268 2/20 0.39
IMPDH1 P20839 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
AAK1 Q2M2I8 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 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
SCHEMBL5778670 1.00 PORCN (0.51) PORCNCYP3A4CYP2D6GAAKEAP1
SCHEMBL5779152 0.88 PORCN (0.57) PORCNCYP3A4CYP2D6GAAKDM4E
SCHEMBL5779159 0.88 PORCN (0.57) PORCNCYP3A4CYP2D6GAAKDM4E
SCHEMBL5778984 0.87 PORCN (0.53) PORCNCYP3A4CYP2D6GAAIMPDH2
SCHEMBL5778989 0.87 PORCN (0.53) PORCNCYP3A4CYP2D6GAAIMPDH2
SCHEMBL5777534 0.85 IMPDH2 (0.41) PORCNGAAIMPDH2IMPDH1KDM4E
SCHEMBL5777532 0.85 IMPDH2 (0.41) PORCNGAAIMPDH2IMPDH1KDM4E
SCHEMBL5779391 0.83 CYP2D6 (0.51) PORCNCYP3A4CYP2D6GAAMAPT
SCHEMBL5779394 0.83 CYP2D6 (0.51) PORCNCYP3A4CYP2D6GAAMAPT
SCHEMBL5779459 0.83 NPC1 (0.46) GAAIMPDH2IMPDH1KDM4EALDH1A1

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 PORCN 3789/4885CYP3A4 3183/4885CYP2D6 3019/4885

“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.