SCHEMBL5780459

SCHEMBL5780459

N#CC(=NNc1ccc(-c2cnco2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
PKM P14618 3/20 0.55
LMNA P02545 3/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
PORCN Q9H237 1/20 0.42
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC3 O15379 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL5780457 1.00 NPC1 (0.55) NPC1PKMLMNARAB9AKDM4E
SCHEMBL5780462 0.95 NPC1 (0.49) NPC1PKMLMNARAB9AKDM4E
SCHEMBL5777808 0.82 KMT2A (0.47) NPC1PKMLMNARAB9AKDM4E
SCHEMBL5778956 0.79 NPC1 (0.56) NPC1PKMLMNARAB9AKDM4E
SCHEMBL1728096 0.77 MAPT (0.53) NPC1LMNARAB9AKDM4EALDH1A1
SCHEMBL7736239 0.77 MAPT (0.53) NPC1LMNARAB9AKDM4EALDH1A1
SCHEMBL1726924 0.77 MAPT (0.53) NPC1LMNARAB9AKDM4EALDH1A1
SCHEMBL5772692 0.74 PKM (0.53) NPC1PKMLMNARAB9AKDM4E
SCHEMBL5778497 0.74 NPC1 (0.57) NPC1PKMLMNARAB9AKDM4E
SCHEMBL5778492 0.74 NPC1 (0.57) NPC1PKMLMNARAB9AKDM4E

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.