SCHEMBL13879640

SCHEMBL13879640

CN(C)c1ccc(/C=C/C(=O)NCCO)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGL P06737 11/20 0.62
ITGB2 P05107 2/20 0.59
ICAM1 P05362 2/20 0.59
ITGAL P20701 2/20 0.59
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CNR2 P34972 1/20 0.47
APP P05067 1/20 0.47

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
SCHEMBL13879639 0.81 KDM4E (0.64) PYGLHPGDALDH1A1KDM4E
SCHEMBL19508587 0.80 HSD17B3 (0.54) PYGLHPGDALDH1A1APP
SCHEMBL13879643 0.79 ITGB2 (0.68) PYGLITGB2ICAM1ITGALALDH1A1
SCHEMBL6499764 0.79 ITGB2 (0.52) PYGLITGB2ICAM1ITGALHPGD
SCHEMBL6499766 0.79 ITGB2 (0.52) PYGLITGB2ICAM1ITGALHPGD
SCHEMBL27557325 0.78 ITGB2 (0.90) PYGLITGB2ICAM1ITGAL
SCHEMBL10980220 0.77 MAPT (0.67) PYGLITGB2ICAM1ITGAL
SCHEMBL10980223 0.77 MAPT (0.67) PYGLITGB2ICAM1ITGAL
SCHEMBL13879637 0.76 NPC1 (0.54) PYGLITGB2ICAM1ITGALALDH1A1
SCHEMBL18385865 0.75 APP (0.80) PYGLITGB2ICAM1ITGALAPP

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
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 PYGL 5/4885ITGB2 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.