SCHEMBL3789230

SCHEMBL3789230

O=C(O)C1CCCN1C(=O)Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.35
ICAM1 P05362 3/20 0.35
ITGAL P20701 3/20 0.35
DGAT1 O75907 2/20 0.34
PREP P48147 1/20 0.33
DPP4 P27487 2/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ERN1 O75460 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL3792595 0.92 DPP4 (0.37) PREPDPP4PIK3CA
SCHEMBL13228840 0.92 DPP4 (0.37) PREPDPP4PIK3CA
SCHEMBL13228841 0.90 SCN9A (0.34) PREPERN1
SCHEMBL3790496 0.90 SCN9A (0.34) PREPERN1
SCHEMBL3791005 0.85 KDM4E (0.36)
SCHEMBL3797226 0.85 DGAT1 (0.42) ITGB2ICAM1ITGALDGAT1LOXL2
SCHEMBL3687351 0.81 ERN1 (0.40) ERN1
SCHEMBL13228818 0.81 P2RX7 (0.43)
SCHEMBL13261607 0.80 ERN1 (0.35) ERN1
SCHEMBL3789709 0.78 ERN1 (0.35) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 ITGB2 4359/4885ICAM1 4397/4885ITGAL 4324/4885

“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.