SCHEMBL6451994

SCHEMBL6451994

COc1ccc(OCc2ccccc2)c(-c2ccnn2-c2ncccc2C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.42
SYK P43405 2/20 0.41
SGMS2 Q8NHU3 1/20 0.39
HSD11B1 P28845 3/20 0.39
LRRK2 Q5S007 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAOB P27338 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6449840 0.87 PTGER1 (0.44) PTGER1HSD11B1
SCHEMBL6451311 0.82 SYK (0.40) SYKSGMS2HSD11B1LRRK2NPC1
SCHEMBL6528085 0.81 SYK (0.48) PTGER1SYKSGMS2LRRK2GSK3B
SCHEMBL6450885 0.80 HSD11B1 (0.43) HSD11B1PDE4APDE4BPDE4CPDE4D
SCHEMBL6448858 0.73 SYK (0.55) PTGER1SYKSGMS2MAOBTSHR
SCHEMBL753616 0.73 MAOB (0.54) GSK3BCDK5CDK5R1MAOBABCB1
SCHEMBL1094535 0.72 SCN9A (0.47) PTGER1LRRK2
SCHEMBL6449875 0.69 PTGER1 (0.45) PTGER1HSD11B1LRRK2CYP1A2
SCHEMBL6454291 0.68 HTT (0.42) SYKSGMS2CYP1A2CYP3A4
SCHEMBL8557138 0.67 MRGPRX4 (0.44) PTGER1CYP3A4MRGPRX4

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 PTGER1 3096/4885SYK 4094/4885SGMS2 2555/4885

“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.