SCHEMBL13879650

SCHEMBL13879650

COc1ccccc1Sc1ccc(/C=C/C(=O)NCCN2CCOCC2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ITGAL P20701 6/20 0.55
HPGD P15428 2/20 0.54
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
ITGB2 P05107 3/20 0.51
ICAM1 P05362 3/20 0.51
PTGS2 P35354 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABL1 P00519 1/20 0.45
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL13879651 0.84 ITGAL (0.57) KDM4EALDH1A1SMN1; SMN2ITGALHPGD
SCHEMBL13879614 0.83 CYP3A4 (0.64) CYP3A4CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL13879647 0.82 ITGAL (0.75) KDM4EITGALHPGDITGB2ICAM1
SCHEMBL4276627 0.82 ITGAL (0.57) KDM4EALDH1A1SMN1; SMN2ITGALHPGD
SCHEMBL4276624 0.82 ITGAL (0.57) KDM4EALDH1A1SMN1; SMN2ITGALHPGD
SCHEMBL13879663 0.82 ITGAL (0.58) KDM4EALDH1A1ITGALHPGDDRD2
SCHEMBL4277183 0.82 ITGAL (0.58) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL4277179 0.82 ITGAL (0.58) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL13879654 0.81 ITGAL (0.63) ALDH1A1SMN1; SMN2ITGALDRD2DRD3
SCHEMBL4280079 0.80 ITGAL (0.55) KDM4EALDH1A1ITGALHPGDDRD2

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 CYP3A4 1385/4885CYP2C19 2487/4885KDM4E 797/4885

“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.