SCHEMBL13879643

SCHEMBL13879643

CN(C)c1ccc(/C=C/C(=O)NCCCn2ccnc2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.68
ICAM1 P05362 3/20 0.68
ITGAL P20701 3/20 0.68
ALDH1A1 P00352 3/20 0.67
PYGL P06737 7/20 0.50
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL4280119 0.81 ALDH1A1 (0.58) ITGB2ICAM1ITGALALDH1A1ALOX15
SCHEMBL4280125 0.81 ALDH1A1 (0.58) ITGB2ICAM1ITGALALDH1A1ALOX15
SCHEMBL13879640 0.79 PYGL (0.62) ITGB2ICAM1ITGALALDH1A1PYGL
SCHEMBL10858272 0.78 ALDH1A1 (0.79) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL10858265 0.78 ALDH1A1 (0.79) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL10824310 0.74 ALDH1A1 (0.62) ITGB2ICAM1ITGALALDH1A1
SCHEMBL13879639 0.73 KDM4E (0.64) ALDH1A1PYGLLMNA
SCHEMBL7868578 0.72 ALDH1A1 (0.67) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL7877285 0.72 ALDH1A1 (0.67) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6139179 0.71 ALDH1A1 (0.61) ITGB2ICAM1ITGALALDH1A1ALOX15

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-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

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 ITGB2 4487/4885ICAM1 2947/4885ITGAL 4495/4885

“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.