SCHEMBL6448854

SCHEMBL6448854

Fc1ccccc1-c1nnc(-c2ccccn2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
PKM P14618 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
EGFR P00533 1/20 0.46
NOTUM Q6P988 1/20 0.45
DCTPP1 Q9H773 1/20 0.45
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
HSD17B10 Q99714 2/20 0.44
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6451424 0.84 NPC1 (0.64) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10553462 0.84 KDM4E (0.59) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL6452516 0.80 RAB9A (0.70) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL1780998 0.78 KDM4E (0.56) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2554742 0.77 KDM4E (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL6448794 0.76 RAB9A (0.62) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL11821551 0.76 KDM4E (0.52) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL6449878 0.75 RAB9A (0.69) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL6698534 0.75 RAB9A (0.65) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18292319 0.75 ATAD2 (0.66) NPC1RAB9AKDM4EALDH1A1HPGD

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC NPC1 59/4885RAB9A 2483/4885KDM4E 3106/4885

“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.