SCHEMBL5778725

SCHEMBL5778725

N/N=C(\c1ccc(C(=O)NCCO)cc1)c1ccc(-c2cnco2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 4/20 0.48
PKM P14618 2/20 0.48
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
HTT P42858 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK8 P45983 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
KCNJ1 P48048 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
SCHEMBL5775952 0.80 NPC1 (0.49) KDM4ENPC1PKMALDH1A1RAB9A
SCHEMBL5778727 0.78 NPC1 (0.48) KDM4ENPC1PKMALDH1A1RAB9A
SCHEMBL5777062 0.77 NPC1 (0.44) KDM4ENPC1PKMALDH1A1RAB9A
SCHEMBL5779456 0.76 GPR119 (0.45) KDM4ENPC1PKMALDH1A1RAB9A
SCHEMBL5776483 0.75 CDK1 (0.49) KDM4ENPC1PKMALDH1A1RAB9A
SCHEMBL5778053 0.73 NAMPT (0.47) KDM4ENPC1PKMCA1CA2
SCHEMBL5777821 0.72 NPC1 (0.42) KDM4ENPC1PKMALDH1A1RAB9A
SCHEMBL1010203 0.69 MYC (0.62) KDM4ENPC1PKMALDH1A1RAB9A
SCHEMBL620074 0.68 POLB (0.66) KDM4EALDH1A1LMNACA12CA1
SCHEMBL25720025 0.68 HDAC6 (0.61) KDM4ENPC1ALDH1A1RAB9ACA12

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 KDM4E 4325/4885NPC1 952/4885PKM 3411/4885

“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.