SCHEMBL3002020

SCHEMBL3002020

FC(F)(F)c1ccc(-c2ccc3c(c2)cc(-c2nnn[nH]2)n3-c2ccc(OC3CCCC3)cc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.34
DGAT1 O75907 4/20 0.34
KCNH2 Q12809 2/20 0.34
ADORA2A P29274 1/20 0.34
PRMT5 O14744 1/20 0.33
SOAT1 P35610 1/20 0.32
VCP P55072 1/20 0.32
GCK P35557 3/20 0.32
HRH3 Q9Y5N1 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL3003503 0.90 PRMT5 (0.34) MCHR1KCNH2ADORA2APRMT5VCP
SCHEMBL3000984 0.84 MCHR1 (0.36) MCHR1DGAT1KCNH2ADORA2AHRH3
SCHEMBL3011914 0.83 JAK2 (0.35) MCHR1KCNH2ADORA2AHRH3PPARD
SCHEMBL3005745 0.80 MCHR1 (0.35) MCHR1DGAT1KCNH2ADORA2AGCK
SCHEMBL3578441 0.76 PTGES (0.47) MCHR1DGAT1KCNH2ADORA2ASOAT1
SCHEMBL3577884 0.73 GCK (0.41) MCHR1DGAT1KCNH2ADORA2ASOAT1
SCHEMBL3576199 0.71 PPARG (0.40) MCHR1DGAT1KCNH2ADORA2APPARD
SCHEMBL3017912 0.70 PPARA (0.37) MCHR1DGAT1KCNH2ADORA2APPARD
SCHEMBL3006485 0.69 PTGES (0.38) KCNH2PPARDPPARA
SCHEMBL4700751 0.68 GCK (0.41) MCHR1DGAT1KCNH2ADORA2ASOAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US disclosed
EP-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 MCHR1 89/4885DGAT1 4287/4885KCNH2 4299/4885

“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.