SCHEMBL5775952

SCHEMBL5775952

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
PKM P14618 3/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NOTUM Q6P988 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PTK2 Q05397 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
MYC P01106 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC3 O15379 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL1010247 0.88 PKM (0.59) NPC1PKMKDM4ERAB9ALMNA
SCHEMBL5777062 0.85 NPC1 (0.44) NPC1PKMKDM4ERAB9ALMNA
SCHEMBL5777821 0.85 NPC1 (0.42) NPC1PKMKDM4ERAB9ALMNA
SCHEMBL5779456 0.84 GPR119 (0.45) NPC1PKMKDM4ERAB9ALMNA
SCHEMBL5776483 0.83 CDK1 (0.49) NPC1PKMKDM4ERAB9ALMNA
SCHEMBL5778725 0.80 KDM4E (0.48) NPC1PKMKDM4ERAB9ALMNA
SCHEMBL1010203 0.77 MYC (0.62) NPC1PKMKDM4ERAB9ALMNA
SCHEMBL5778053 0.74 NAMPT (0.47) NPC1PKMKDM4EHDAC1IMPDH2
SCHEMBL2431912 0.73 PKM (0.59) NPC1PKMKDM4ERAB9ALMNA
SCHEMBL2422300 0.73 NOTUM (0.59) NPC1PKMKDM4ERAB9ALMNA

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 3411/4885KDM4E 4325/4885

“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.