SCHEMBL6750419

SCHEMBL6750419

FC(F)(F)c1ccc(OCCCCCCBr)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.52
LTA4H P09960 1/20 0.46
MAOB P27338 5/20 0.45
PPARA Q07869 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43

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
SCHEMBL4104367 1.00 NOS1 (0.52) NOS1LTA4HMAOBPPARAMRGPRX4
SCHEMBL31706291 1.00 NOS1 (0.52) NOS1LTA4HMAOBPPARAMRGPRX4
SCHEMBL17233207 1.00 NOS1 (0.52) NOS1LTA4HMAOBPPARAMRGPRX4
SCHEMBL7248303 0.98 NOS1 (0.51) NOS1LTA4HMAOBPPARAMRGPRX4
SCHEMBL7152797 0.93 NOS1 (0.48) NOS1LTA4HMAOBPPARA
SCHEMBL5317430 0.92 NOS1 (0.50) NOS1LTA4HMAOBPPARACHRNB2
SCHEMBL4332998 0.86 LTA4H (0.50) NOS1LTA4HMAOBPPARACHRNB2
SCHEMBL30720430 0.84 PRMT1 (0.54)
SCHEMBL14095592 0.84 PRMT1 (0.54)
SCHEMBL30209074 0.84 PRMT1 (0.54)

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-6706739-B2 TREATING ENTEROVIRUS INFECTION NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2004-03-16 US disclosed
US-20030087936-A1 Imidazolidinone compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2003-05-08 US 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-20030087936-A1 Imidazolidinone compounds EIF2AK2, ZC3HAV1, EMG1 NOS1 4515/4885LTA4H 4631/4885MAOB 3987/4885

“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.