SCHEMBL4276982

SCHEMBL4276982

O=C(C=Cc1ccc(Sc2ccc(F)cc2)cc1Cl)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 13/20 0.53
ITGB2 P05107 11/20 0.52
ICAM1 P05362 11/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
F2R P25116 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4276975 1.00 ITGAL (0.53) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL4288857 0.89 ITGAL (0.51) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL4288852 0.89 ITGAL (0.51) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL13879669 0.85 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL4287786 0.84 ITGAL (0.53) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL4287791 0.84 ITGAL (0.53) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL13879613 0.84 ITGAL (0.69) ITGALITGB2ICAM1L3MBTL1F2R
SCHEMBL4280329 0.82 ITGAL (0.44) ITGALITGB2ICAM1RAB9AL3MBTL1
SCHEMBL4280335 0.82 ITGAL (0.44) ITGALITGB2ICAM1RAB9AL3MBTL1
SCHEMBL4276929 0.81 ITGAL (0.62) ITGALITGB2ICAM1RAB9ANPC1

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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 ITGAL 4495/4885ITGB2 4487/4885ICAM1 2947/4885

“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.