SCHEMBL5777062

SCHEMBL5777062

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
PKM P14618 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.40
NOTUM Q6P988 1/20 0.40
ACACB O00763 1/20 0.40
HTT P42858 2/20 0.40
ESR1 P03372 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MYC P01106 1/20 0.39
HDAC4 P56524 2/20 0.39
POLB P06746 1/20 0.39
ABCC4 O15439 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 0.85 NPC1 (0.49) NPC1PKMLMNAKDM4ERAB9A
SCHEMBL5779456 0.79 GPR119 (0.45) NPC1PKMLMNAKDM4ERAB9A
SCHEMBL5776483 0.78 CDK1 (0.49) NPC1PKMLMNAKDM4ERAB9A
SCHEMBL5778725 0.77 KDM4E (0.48) NPC1PKMLMNAKDM4ERAB9A
SCHEMBL5777821 0.77 NPC1 (0.42) NPC1PKMLMNAKDM4ERAB9A
SCHEMBL5778053 0.76 NAMPT (0.47) NPC1PKMKDM4EACACBHDAC1
SCHEMBL5777066 0.73 NPC1 (0.46) NPC1PKMLMNAKDM4ERAB9A
SCHEMBL1010247 0.73 PKM (0.59) NPC1PKMLMNAKDM4ERAB9A
SCHEMBL1010203 0.72 MYC (0.62) NPC1PKMLMNAKDM4ERAB9A
SCHEMBL4033591 0.70 CYP4F2 (0.58) NPC1PKMLMNAKDM4ERAB9A

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 NPC1 952/4885PKM 3411/4885LMNA 861/4885

“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.