SCHEMBL3666639

SCHEMBL3666639

O=C(O)NC1CCNc2c(Br)cc(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.35
▸ F12 P00748 7/20 0.34
▸ MARS1 P56192 1/20 0.33
▸ APOL1 O14791 3/20 0.30

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
SCHEMBL3729303 0.75 APOL1 (0.32) F12APOL1
SCHEMBL15717438 0.72 TAS1R3 (0.40) F12APOL1
SCHEMBL27821224 0.71 — —
SCHEMBL15717294 0.70 APOL1 (0.32) APOL1
SCHEMBL19948657 0.68 CYP11B1 (0.43) —
SCHEMBL1872257 0.65 BDKRB1 (0.46) —
SCHEMBL22492459 0.65 F12 (0.52) F12
SCHEMBL784503 0.65 CYP11B2 (0.36) —
SCHEMBL19973434 0.64 TP53 (0.46) —
Hydrochloric Acid SCHEMBL1873147 0.64 BDKRB1 (0.45) —

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
EP-2231668-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GlaxoSmithKline LLC (US) 2010-09-29 — — EP disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 — — US disclosed
WO-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 — — 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-20090197856-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, EIF2AK2, MAVS SLC2A1 2177/4885F12 1075/4885MARS1 246/4885

“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.

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