SCHEMBL13879385

SCHEMBL13879385

CN1C(=O)N(c2ccccc2)C(=O)C1(C)Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
ELANE P08246 4/20 0.46
AR P10275 1/20 0.42
OPRM1 P35372 3/20 0.39
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
TP53 P04637 1/20 0.39
GSK3B P49841 1/20 0.38
TBXAS1 P24557 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL13879387 0.87 ELANE (0.59) ITGB2ICAM1ITGALELANEALDH1A1
SCHEMBL13879388 0.86 ALDH1A1 (0.53) ITGB2ICAM1ITGALELANEAR
SCHEMBL13879396 0.78 ITGAL (0.73) ITGB2ICAM1ITGALELANE
SCHEMBL30385466 0.78 ELANE (0.56) ITGB2ICAM1ITGALELANEAR
SCHEMBL13879382 0.77 L3MBTL1 (0.45) ITGB2ICAM1ITGALELANEOPRM1
SCHEMBL13879386 0.73 ITGB2 (0.43) ITGB2ICAM1ITGALELANEAR
SCHEMBL8295620 0.72 ALDH1A1 (0.74) ITGB2ICAM1ITGALELANEOPRM1
Hydrochloric Acid SCHEMBL30385756 0.72 AR (0.60) ELANEARALDH1A1TAS2R8HTT
Hydrochloric Acid SCHEMBL8295931 0.71 MAPK1 (0.73) ITGB2ICAM1ITGALELANEOPRM1
SCHEMBL13879391 0.70 LMNA (0.43) ITGB2ICAM1ITGALELANEALDH1A1

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 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.