SCHEMBL6449875

SCHEMBL6449875

FC(F)(F)c1cccnc1-n1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 11/20 0.45
HSD11B1 P28845 2/20 0.39
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LRRK2 Q5S007 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP1A2 P05177 1/20 0.36
CAPN1 P07384 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
SCHEMBL6451311 0.87 SYK (0.40) HSD11B1LRRK2CAPN1
SCHEMBL6449840 0.82 PTGER1 (0.44) PTGER1HSD11B1CCR5ALDH1A1HTT
SCHEMBL6454384 0.81 CCR5 (0.46) PTGER1CCR5ALDH1A1HTTSMN1; SMN2
SCHEMBL6449993 0.79 EPHX2 (0.36) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL6452335 0.73 GABRA1 (0.41) HSD11B1ALDH1A1HTTCYP2C9CYP1A2
SCHEMBL28286296 0.73 CCR5 (0.55) PTGER1CCR5ALDH1A1HTTSMN1; SMN2
SCHEMBL30835001 0.73 CCR5 (0.55) PTGER1CCR5ALDH1A1HTTSMN1; SMN2
SCHEMBL6449976 0.72 EPHX2 (0.41) HSD11B1HTTCYP1A2CAPN1
SCHEMBL3726426 0.71 PTGER1 (0.54) PTGER1CCR5ALDH1A1HTTSMN1; SMN2
SCHEMBL30955958 0.71 PTGER1 (0.54) PTGER1CCR5ALDH1A1HTTSMN1; SMN2

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 3096/4885HSD11B1 357/4885CCR5 32/4885

“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.