SCHEMBL13879616

SCHEMBL13879616

O=C(/C=C/c1ccc(Sc2ccc(F)cc2)cc1Cl)NCCCn1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.59
ICAM1 P05362 3/20 0.59
ITGAL P20701 3/20 0.59
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.51
NAMPT P43490 1/20 0.49
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
QPCT Q16769 1/20 0.46
ADORA2A P29274 1/20 0.45
MAPK1 P28482 1/20 0.45
PLK4 O00444 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
NTRK1 P04629 1/20 0.45
PRKCG P05129 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45

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
SCHEMBL13879681 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL13879623 0.87 ITGB2 (0.57) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL4280125 0.80 ALDH1A1 (0.58) ITGB2ICAM1ITGALALDH1A1NAMPT
SCHEMBL4280119 0.80 ALDH1A1 (0.58) ITGB2ICAM1ITGALALDH1A1NAMPT
SCHEMBL13879615 0.80 GAA (0.52) ITGB2ICAM1ITGALALDH1A1MAPK1
SCHEMBL13879617 0.78 ITGB2 (0.60) ITGB2ICAM1ITGALHSD17B10LMNA
SCHEMBL15854246 0.76 ALDH1A1 (0.52) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL15854225 0.76 ALDH1A1 (0.63) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL17219360 0.76 ALDH1A1 (0.52) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL13879614 0.75 CYP3A4 (0.64) ALDH1A1MAPK1LMNAMAPTMEN1

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.